N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide

C20H17ClN2O — CID 11396784

IUPACN-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide
SMILESNCc1cccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H17ClN2O/c21-18-9-7-15(8-10-18)20(24)23-19-6-2-5-17(12-19)16-4-1-3-14(11-16)13-22/h1-12H,13,22H2,(H,23,24)
InChIKeyDVZSWQWIDPBJFW-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.72
Rot. Bonds4

About N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide

N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide (PubChem CID 11396784) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide
PubChem CID11396784
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide
SMILESNCc1cccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H17ClN2O/c21-18-9-7-15(8-10-18)20(24)23-19-6-2-5-17(12-19)16-4-1-3-14(11-16)13-22/h1-12H,13,22H2,(H,23,24)
InChIKeyDVZSWQWIDPBJFW-UHFFFAOYSA-N
XLogP4.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166
N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
CID 63254340

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide (CID 11396784) is N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide is NCc1cccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide?
The InChIKey is DVZSWQWIDPBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-18-9-7-15(8-10-18)20(24)23-19-6-2-5-17(12-19)16-4-1-3-14(11-16)13-22/h1-12H,13,22H2,(H,23,24).
What are the key properties of N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide?
N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide has a molecular weight of 336.82 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 11396784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).