N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide

C24H22ClN3O2 — CID 174591618

IUPACN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide
SMILESNCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C24H22ClN3O2/c25-21-11-8-16(15-4-2-1-3-5-15)12-20(21)24(30)28-22-13-17(6-7-18(22)14-26)23(29)27-19-9-10-19/h1-8,11-13,19H,9-10,14,26H2,(H,27,29)(H,28,30)
InChIKeyUZXJYUVYLPRAFU-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.61
Rot. Bonds6

About N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide

N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide (PubChem CID 174591618) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide
PubChem CID174591618
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide
SMILESNCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C24H22ClN3O2/c25-21-11-8-16(15-4-2-1-3-5-15)12-20(21)24(30)28-22-13-17(6-7-18(22)14-26)23(29)27-19-9-10-19/h1-8,11-13,19H,9-10,14,26H2,(H,27,29)(H,28,30)
InChIKeyUZXJYUVYLPRAFU-UHFFFAOYSA-N
XLogP4.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 174606369
4-chloro-1-N-cyclopropylbenzene-1,3-dicarboxamide
CID 129113636
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 154868807
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide
CID 9091098
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
CID 175179674
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide?
The IUPAC name of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide (CID 174591618) is N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide is NCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(-c2ccccc2)ccc1Cl.
What is the InChIKey of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide?
The InChIKey is UZXJYUVYLPRAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-21-11-8-16(15-4-2-1-3-5-15)12-20(21)24(30)28-22-13-17(6-7-18(22)14-26)23(29)27-19-9-10-19/h1-8,11-13,19H,9-10,14,26H2,(H,27,29)(H,28,30).
What are the key properties of N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide?
N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide has a molecular weight of 419.91 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)phenyl]-2-chloro-5-phenylbenzamide is sourced from PubChem (CID 174591618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).