2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide

C18H19ClN2O2 — CID 17194505

IUPAC2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyZERFGWSNCFYTLQ-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.07
Rot. Bonds5

About 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide

2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide (PubChem CID 17194505) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
PubChem CID17194505
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyZERFGWSNCFYTLQ-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 36835148
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
CID 39964708
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055921
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide
CID 55773964
N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
CID 43052510
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
CID 26162225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide (CID 17194505) is 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide?
The InChIKey is ZERFGWSNCFYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide?
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17194505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).