N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide

C19H21ClN2O3 — CID 170710842

IUPACN-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide
SMILESCCOCCN(C(=O)c1ccc(Cl)cc1C)c1ccccc1C(N)=O
InChIInChI=1S/C19H21ClN2O3/c1-3-25-11-10-22(17-7-5-4-6-16(17)18(21)23)19(24)15-9-8-14(20)12-13(15)2/h4-9,12H,3,10-11H2,1-2H3,(H2,21,23)
InChIKeySIKZGROTEFLUMF-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.43
Rot. Bonds7

About N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide

N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide (PubChem CID 170710842) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide
PubChem CID170710842
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide
SMILESCCOCCN(C(=O)c1ccc(Cl)cc1C)c1ccccc1C(N)=O
InChIInChI=1S/C19H21ClN2O3/c1-3-25-11-10-22(17-7-5-4-6-16(17)18(21)23)19(24)15-9-8-14(20)12-13(15)2/h4-9,12H,3,10-11H2,1-2H3,(H2,21,23)
InChIKeySIKZGROTEFLUMF-UHFFFAOYSA-N
XLogP3.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamoylphenyl)-N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 170710846
N-[2-(2-bromoethoxy)ethyl]-4-chloro-N,2-dimethylbenzamide
CID 114242797
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
2-[bis(2-ethoxyethyl)amino]benzenecarbothioamide
CID 82966083
ethyl N-(2-carbamoyl-5-chlorophenyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate
CID 19087680
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
CID 107986331
ethyl N-(2-carbamoylphenyl)-N-methylcarbamate
CID 174425529
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
4-chloro-2-ethoxybenzamide
CID 126998915
ethyl 4-(4-chloro-2-methylphenyl)-4-oxobutanoate
CID 24727740

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide?
The IUPAC name of N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide (CID 170710842) is N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide?
The canonical SMILES for N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide is CCOCCN(C(=O)c1ccc(Cl)cc1C)c1ccccc1C(N)=O.
What is the InChIKey of N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide?
The InChIKey is SIKZGROTEFLUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-25-11-10-22(17-7-5-4-6-16(17)18(21)23)19(24)15-9-8-14(20)12-13(15)2/h4-9,12H,3,10-11H2,1-2H3,(H2,21,23).
What are the key properties of N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide?
N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-4-chloro-N-(2-ethoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 170710842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).