3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide

C14H11ClN2O2 — CID 35554073

IUPAC3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClN2O2/c15-11-5-2-6-12(8-11)17-14(19)10-4-1-3-9(7-10)13(16)18/h1-8H,(H2,16,18)(H,17,19)
InChIKeyBHJLWSCUHBTHHU-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.69
Rot. Bonds3

About 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide

3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 35554073) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
PubChem CID35554073
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClN2O2/c15-11-5-2-6-12(8-11)17-14(19)10-4-1-3-9(7-10)13(16)18/h1-8H,(H2,16,18)(H,17,19)
InChIKeyBHJLWSCUHBTHHU-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1369981
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N-(3-acetamidophenyl)-3-chlorobenzamide
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3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
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3-(2-amino-2-sulfanylideneethyl)-N-(3-chlorophenyl)benzamide
CID 82179528
3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide (CID 35554073) is 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is BHJLWSCUHBTHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-11-5-2-6-12(8-11)17-14(19)10-4-1-3-9(7-10)13(16)18/h1-8H,(H2,16,18)(H,17,19).
What are the key properties of 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide?
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 274.71 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 35554073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).