4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide

C23H32FN3O3 — CID 70940427

IUPAC4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide
SMILESO=C1CC[C@@H](CNC(=O)c2cc(F)c(NC3CCCCC3)cc2NC2CCCC2)O1
InChIInChI=1S/C23H32FN3O3/c24-19-12-18(23(29)25-14-17-10-11-22(28)30-17)20(26-15-8-4-5-9-15)13-21(19)27-16-6-2-1-3-7-16/h12-13,15-17,26-27H,1-11,14H2,(H,25,29)/t17-/m0/s1
InChIKeyALURCWLRTWRYBC-KRWDZBQOSA-N
MW417.53 g/mol
LogP4.36
Rot. Bonds7

About 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide

4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide (PubChem CID 70940427) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide
PubChem CID70940427
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Name4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide
SMILESO=C1CC[C@@H](CNC(=O)c2cc(F)c(NC3CCCCC3)cc2NC2CCCC2)O1
InChIInChI=1S/C23H32FN3O3/c24-19-12-18(23(29)25-14-17-10-11-22(28)30-17)20(26-15-8-4-5-9-15)13-21(19)27-16-6-2-1-3-7-16/h12-13,15-17,26-27H,1-11,14H2,(H,25,29)/t17-/m0/s1
InChIKeyALURCWLRTWRYBC-KRWDZBQOSA-N
XLogP4.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide 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

2-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]prop-2-enoic acid
CID 89119398
4-[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]-2-ethylbutanoic acid
CID 70940471
N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide
CID 70940511
N-[(5-oxooxolan-2-yl)methyl]acetamide
CID 533856
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
2-[3-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]phenoxy]acetic acid
CID 70940444
ethyl 4-[[2-(cyclopentylamino)-4-(cyclopropylmethylamino)-5-fluorobenzoyl]amino]butanoate
CID 70940522
5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 23117753

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide (CID 70940427) is 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide is O=C1CC[C@@H](CNC(=O)c2cc(F)c(NC3CCCCC3)cc2NC2CCCC2)O1.
What is the InChIKey of 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide?
The InChIKey is ALURCWLRTWRYBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H32FN3O3/c24-19-12-18(23(29)25-14-17-10-11-22(28)30-17)20(26-15-8-4-5-9-15)13-21(19)27-16-6-2-1-3-7-16/h12-13,15-17,26-27H,1-11,14H2,(H,25,29)/t17-/m0/s1.
What are the key properties of 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide?
4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 70940427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).