3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide

C14H11Cl2N3O2 — CID 29201519

IUPAC3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-11-5-4-10(7-12(11)16)18-13(20)8-2-1-3-9(6-8)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21)
InChIKeyFVFCQXFGWVOKBT-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.74
Rot. Bonds3

About 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide

3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide (PubChem CID 29201519) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
PubChem CID29201519
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2N3O2/c15-11-5-4-10(7-12(11)16)18-13(20)8-2-1-3-9(6-8)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21)
InChIKeyFVFCQXFGWVOKBT-UHFFFAOYSA-N
XLogP3.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
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3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
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3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
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4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
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5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide (CID 29201519) is 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide is NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is FVFCQXFGWVOKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-11-5-4-10(7-12(11)16)18-13(20)8-2-1-3-9(6-8)19-14(17)21/h1-7H,(H,18,20)(H3,17,19,21).
What are the key properties of 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide?
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 324.17 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 29201519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).