4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide

C20H23N3O2 — CID 119741595

IUPAC4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c21-17-10-8-16(9-11-17)19(24)22-13-14-4-3-7-18(12-14)23-20(25)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13,21H2,(H,22,24)(H,23,25)
InChIKeyDGRZCOLNWJTOJH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds5

About 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide

4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide (PubChem CID 119741595) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
PubChem CID119741595
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c21-17-10-8-16(9-11-17)19(24)22-13-14-4-3-7-18(12-14)23-20(25)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13,21H2,(H,22,24)(H,23,25)
InChIKeyDGRZCOLNWJTOJH-UHFFFAOYSA-N
XLogP3.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55893148
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 60535612

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide (CID 119741595) is 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide is Nc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1.
What is the InChIKey of 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide?
The InChIKey is DGRZCOLNWJTOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-17-10-8-16(9-11-17)19(24)22-13-14-4-3-7-18(12-14)23-20(25)15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13,21H2,(H,22,24)(H,23,25).
What are the key properties of 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide?
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 119741595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).