N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide

C25H26FN3O2 — CID 7116610

IUPACN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILESC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1F
InChIInChI=1S/C25H26FN3O2/c1-17(24(30)27-19-11-5-6-12-19)29(23-14-8-7-13-20(23)26)25(31)22-16-15-21(28-22)18-9-3-2-4-10-18/h2-4,7-10,13-17,19,28H,5-6,11-12H2,1H3,(H,27,30)/t17-/m0/s1
InChIKeyUIHNCJJWHIJCRT-KRWDZBQOSA-N
MW419.50 g/mol
LogP4.91
Rot. Bonds6

About N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 7116610) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID7116610
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILESC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1F
InChIInChI=1S/C25H26FN3O2/c1-17(24(30)27-19-11-5-6-12-19)29(23-14-8-7-13-20(23)26)25(31)22-16-15-21(28-22)18-9-3-2-4-10-18/h2-4,7-10,13-17,19,28H,5-6,11-12H2,1H3,(H,27,30)/t17-/m0/s1
InChIKeyUIHNCJJWHIJCRT-KRWDZBQOSA-N
XLogP4.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 25449859
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180640
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180649
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 25458672
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180658
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
CID 25458631
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-phenyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide
CID 3180667
N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-hydroxyphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 25448408
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3179749
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)propanamide
CID 3179859
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180707
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 98091073

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide (CID 7116610) is N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide is C[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1F.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is UIHNCJJWHIJCRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-17(24(30)27-19-11-5-6-12-19)29(23-14-8-7-13-20(23)26)25(31)22-16-15-21(28-22)18-9-3-2-4-10-18/h2-4,7-10,13-17,19,28H,5-6,11-12H2,1H3,(H,27,30)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 7116610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).