2-[(3-aminophenyl)methylamino]-5-chlorobenzamide

C14H14ClN3O — CID 62500264

IUPAC2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1cccc(N)c1
InChIInChI=1S/C14H14ClN3O/c15-10-4-5-13(12(7-10)14(17)19)18-8-9-2-1-3-11(16)6-9/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyOCLSWJJWBSBUST-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.63
Rot. Bonds4

About 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide

2-[(3-aminophenyl)methylamino]-5-chlorobenzamide (PubChem CID 62500264) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
PubChem CID62500264
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1cccc(N)c1
InChIInChI=1S/C14H14ClN3O/c15-10-4-5-13(12(7-10)14(17)19)18-8-9-2-1-3-11(16)6-9/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyOCLSWJJWBSBUST-UHFFFAOYSA-N
XLogP2.63
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.63
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

N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
CID 83960754
5-chloro-2-[(4-phenoxyphenyl)methylamino]benzamide
CID 141087482
5-amino-2-[(3-cyanophenyl)methylamino]benzamide
CID 62315337
ethyl 5-amino-2-[(3-chlorophenyl)methylamino]benzoate
CID 62532105
5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide
CID 105358002
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
3-[(4-chloro-2-iodoanilino)methyl]benzamide
CID 103764653
3-[(2-bromo-4-chloroanilino)methyl]benzamide
CID 80979619
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2-[(3-aminophenyl)methylamino]-4-chlorobenzonitrile
CID 63083140
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide
CID 62495061
3-(2-carbamoyl-4-chloroanilino)propanoic acid
CID 62492779

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide?
The IUPAC name of 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide (CID 62500264) is 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide.
What is the SMILES notation for 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide?
The canonical SMILES for 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1NCc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide?
The InChIKey is OCLSWJJWBSBUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-10-4-5-13(12(7-10)14(17)19)18-8-9-2-1-3-11(16)6-9/h1-7,18H,8,16H2,(H2,17,19).
What are the key properties of 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide?
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide has a molecular weight of 275.74 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methylamino]-5-chlorobenzamide is sourced from PubChem (CID 62500264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).