2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide

C12H14Cl2N2O3 — CID 43328804

IUPAC2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-6-4-9(10(19-3)5-8(6)14)15-12(18)16-11(17)7(2)13/h4-5,7H,1-3H3,(H2,15,16,17,18)
InChIKeyJJVREUCXODFDFY-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide

2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide (PubChem CID 43328804) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
PubChem CID43328804
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-6-4-9(10(19-3)5-8(6)14)15-12(18)16-11(17)7(2)13/h4-5,7H,1-3H3,(H2,15,16,17,18)
InChIKeyJJVREUCXODFDFY-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 103928289
N-[(5-bromo-2-methoxyphenyl)carbamoyl]-2-chloropropanamide
CID 54967415
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide (CID 43328804) is 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide is COc1cc(Cl)c(C)cc1NC(=O)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide?
The InChIKey is JJVREUCXODFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-6-4-9(10(19-3)5-8(6)14)15-12(18)16-11(17)7(2)13/h4-5,7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide?
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide has a molecular weight of 305.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 43328804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).