2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide

C14H12Cl2N2O — CID 61111340

IUPAC2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-10-3-1-2-9(6-10)8-18-14(19)12-5-4-11(16)7-13(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyMQOMEHZZLXRUMQ-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.51
Rot. Bonds3

About 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide

2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide (PubChem CID 61111340) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
PubChem CID61111340
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-10-3-1-2-9(6-10)8-18-14(19)12-5-4-11(16)7-13(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyMQOMEHZZLXRUMQ-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
CID 108898720
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide (CID 61111340) is 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide is Nc1cc(Cl)ccc1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide?
The InChIKey is MQOMEHZZLXRUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-10-3-1-2-9(6-10)8-18-14(19)12-5-4-11(16)7-13(12)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide?
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide has a molecular weight of 295.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 61111340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).