4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide

C19H16ClN3O — CID 66877992

IUPAC4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-17-9-8-15(11-16(17)18-3-1-2-10-22-18)23-19(24)14-6-4-13(12-21)5-7-14/h1-11H,12,21H2,(H,23,24)
InChIKeyLRJAYNGZCHNARI-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.11
Rot. Bonds4

About 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide

4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide (PubChem CID 66877992) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
PubChem CID66877992
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H16ClN3O/c20-17-9-8-15(11-16(17)18-3-1-2-10-22-18)23-19(24)14-6-4-13(12-21)5-7-14/h1-11H,12,21H2,(H,23,24)
InChIKeyLRJAYNGZCHNARI-UHFFFAOYSA-N
XLogP4.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(dimethylamino)butyl]benzamide
CID 58227039
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 66877640
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[[(1Z,3E)-penta-1,3-dienyl]amino]methyl]benzamide
CID 143198916
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 70325323
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[(methylideneamino)-(methyliminomethyl)amino]methyl]benzamide
CID 154938344
3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 58614887

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide (CID 66877992) is 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide is NCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
The InChIKey is LRJAYNGZCHNARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-17-9-8-15(11-16(17)18-3-1-2-10-22-18)23-19(24)14-6-4-13(12-21)5-7-14/h1-11H,12,21H2,(H,23,24).
What are the key properties of 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide?
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide has a molecular weight of 337.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide is sourced from PubChem (CID 66877992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).