4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide

C21H25N3O2 — CID 131902266

IUPAC4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-14-6-11-18(23-20(25)16-4-2-3-5-16)19(12-14)24-21(26)17-9-7-15(13-22)8-10-17/h6-12,16H,2-5,13,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyPJXLIBPDRQRDFM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.83
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide

4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide (PubChem CID 131902266) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
PubChem CID131902266
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-14-6-11-18(23-20(25)16-4-2-3-5-16)19(12-14)24-21(26)17-9-7-15(13-22)8-10-17/h6-12,16H,2-5,13,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyPJXLIBPDRQRDFM-UHFFFAOYSA-N
XLogP3.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301
N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide
CID 23851907
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 131923639
N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131940308
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide
CID 131946892
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
CID 131930794

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide (CID 131902266) is 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide is Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide?
The InChIKey is PJXLIBPDRQRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-6-11-18(23-20(25)16-4-2-3-5-16)19(12-14)24-21(26)17-9-7-15(13-22)8-10-17/h6-12,16H,2-5,13,22H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide?
4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide is sourced from PubChem (CID 131902266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).