3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide

C13H18ClN3O3 — CID 86862773

IUPAC3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)NCC(C)(C)C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c1-13(2,11(15)18)7-16-12(19)17-10-5-4-8(20-3)6-9(10)14/h4-6H,7H2,1-3H3,(H2,15,18)(H2,16,17,19)
InChIKeyQZZHHBDPMABICF-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.98
Rot. Bonds5

About 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide

3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide (PubChem CID 86862773) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
PubChem CID86862773
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)NCC(C)(C)C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O3/c1-13(2,11(15)18)7-16-12(19)17-10-5-4-8(20-3)6-9(10)14/h4-6H,7H2,1-3H3,(H2,15,18)(H2,16,17,19)
InChIKeyQZZHHBDPMABICF-UHFFFAOYSA-N
XLogP1.98
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111474361
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
3-[(2-chloro-4-methylphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428375
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337
3-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428951
1-(2-chloro-4-methoxyphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754789
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
CID 106276358
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide (CID 86862773) is 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide is COc1ccc(NC(=O)NCC(C)(C)C(N)=O)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide?
The InChIKey is QZZHHBDPMABICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-13(2,11(15)18)7-16-12(19)17-10-5-4-8(20-3)6-9(10)14/h4-6H,7H2,1-3H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide?
3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide has a molecular weight of 299.76 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 86862773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).