5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide

C19H21ClN2O3 — CID 8503683

IUPAC5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H21ClN2O3/c1-4-22(5-2)19(24)13-6-9-15(10-7-13)21-18(23)16-12-14(20)8-11-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyKMDKLXXKJIKYQR-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.08
Rot. Bonds6

About 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide

5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide (PubChem CID 8503683) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
PubChem CID8503683
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H21ClN2O3/c1-4-22(5-2)19(24)13-6-9-15(10-7-13)21-18(23)16-12-14(20)8-11-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyKMDKLXXKJIKYQR-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
CID 121062446
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 34317168
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324
5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
CID 2603913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide (CID 8503683) is 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
The InChIKey is KMDKLXXKJIKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-4-22(5-2)19(24)13-6-9-15(10-7-13)21-18(23)16-12-14(20)8-11-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide has a molecular weight of 360.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 8503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).