N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide

C14H17ClN2O3 — CID 47205603

IUPACN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-8-5-11(12(20-2)6-10(8)15)17-13(18)7-16-14(19)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJRMMENKSJCFWRF-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 47205603) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID47205603
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C14H17ClN2O3/c1-8-5-11(12(20-2)6-10(8)15)17-13(18)7-16-14(19)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyJRMMENKSJCFWRF-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 113001595
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119815078
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide (CID 47205603) is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide is COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)C1CC1.
What is the InChIKey of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is JRMMENKSJCFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-5-11(12(20-2)6-10(8)15)17-13(18)7-16-14(19)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 296.75 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47205603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).