3-amino-2-chloro-N-methyl-N-phenylbenzamide

C14H13ClN2O — CID 112574015

IUPAC3-amino-2-chloro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(N)c1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-17(10-6-3-2-4-7-10)14(18)11-8-5-9-12(16)13(11)15/h2-9H,16H2,1H3
InChIKeyGPTWPIVUVRIBDU-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.20
Rot. Bonds2

About 3-amino-2-chloro-N-methyl-N-phenylbenzamide

3-amino-2-chloro-N-methyl-N-phenylbenzamide (PubChem CID 112574015) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-amino-2-chloro-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-methyl-N-phenylbenzamide
PubChem CID112574015
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-amino-2-chloro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(N)c1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-17(10-6-3-2-4-7-10)14(18)11-8-5-9-12(16)13(11)15/h2-9H,16H2,1H3
InChIKeyGPTWPIVUVRIBDU-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
CID 112575829
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
N,2-dimethyl-N-phenylbenzamide
CID 5222383
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
CID 106934244
4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid
CID 104698174
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
3-amino-2-chloro-N-methyl-N-prop-2-ynylbenzamide
CID 112576106

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-methyl-N-phenylbenzamide (CID 112574015) is 3-amino-2-chloro-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(N)c1Cl)c1ccccc1.
What is the InChIKey of 3-amino-2-chloro-N-methyl-N-phenylbenzamide?
The InChIKey is GPTWPIVUVRIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-17(10-6-3-2-4-7-10)14(18)11-8-5-9-12(16)13(11)15/h2-9H,16H2,1H3.
What are the key properties of 3-amino-2-chloro-N-methyl-N-phenylbenzamide?
3-amino-2-chloro-N-methyl-N-phenylbenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 112574015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).