N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide

C23H27ClN4O3 — CID 121063337

IUPACN-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
SMILESO=C(NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O3/c24-19-9-5-16(6-10-19)15-27-23(31)26-14-13-25-21(29)18-7-11-20(12-8-18)28-22(30)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2,(H,25,29)(H,28,30)(H2,26,27,31)
InChIKeyCCMJQWYUOUNMLD-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.70
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide

N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide (PubChem CID 121063337) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
PubChem CID121063337
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC NameN-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
SMILESO=C(NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN4O3/c24-19-9-5-16(6-10-19)15-27-23(31)26-14-13-25-21(29)18-7-11-20(12-8-18)28-22(30)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2,(H,25,29)(H,28,30)(H2,26,27,31)
InChIKeyCCMJQWYUOUNMLD-UHFFFAOYSA-N
XLogP3.70
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063312
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-(1,3-dithian-2-yl)benzamide
CID 24680771
N-[(1S)-1-[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]ethyl]cyclobutanecarboxamide
CID 166706387
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide (CID 121063337) is N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide is O=C(NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The InChIKey is CCMJQWYUOUNMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c24-19-9-5-16(6-10-19)15-27-23(31)26-14-13-25-21(29)18-7-11-20(12-8-18)28-22(30)17-3-1-2-4-17/h5-12,17H,1-4,13-15H2,(H,25,29)(H,28,30)(H2,26,27,31).
What are the key properties of N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide has a molecular weight of 442.95 g/mol, XLogP of 3.70, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide is sourced from PubChem (CID 121063337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).