N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide

C15H13ClN2O2 — CID 115549784

IUPACN-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C15H13ClN2O2/c1-18(9-19)11-7-5-10(6-8-11)15(20)12-3-2-4-13(16)14(12)17/h2-9H,17H2,1H3
InChIKeyWEDUUGYVWYEHIF-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide

N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide (PubChem CID 115549784) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide
PubChem CID115549784
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(C(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C15H13ClN2O2/c1-18(9-19)11-7-5-10(6-8-11)15(20)12-3-2-4-13(16)14(12)17/h2-9H,17H2,1H3
InChIKeyWEDUUGYVWYEHIF-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745
N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
CID 43340829
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
N-[4-(furan-2-carbonyl)phenyl]-N-methylformamide
CID 43463653
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 115549761
N-(4-aminophenyl)-N-methylformamide
CID 19983561
4-(2-chlorobenzoyl)benzaldehyde
CID 82118162
(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
CID 134092266
2-amino-3-chloro-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N-methylbenzamide
CID 10853998
1-(2-amino-3-chlorophenyl)-2-chloropropan-1-one
CID 24894470
1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
CID 12619979
(2-amino-3-methylphenyl)-(4-methylphenyl)methanone
CID 22285788

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide?
The IUPAC name of N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide (CID 115549784) is N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide is CN(C=O)c1ccc(C(=O)c2cccc(Cl)c2N)cc1.
What is the InChIKey of N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide?
The InChIKey is WEDUUGYVWYEHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-18(9-19)11-7-5-10(6-8-11)15(20)12-3-2-4-13(16)14(12)17/h2-9H,17H2,1H3.
What are the key properties of N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide?
N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide has a molecular weight of 288.73 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3-chlorobenzoyl)phenyl]-N-methylformamide is sourced from PubChem (CID 115549784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).