N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide

C13H19ClN2O2 — CID 108993256

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCC(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)7-15-8-13(17)16-10-4-5-12(18-3)11(14)6-10/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeySFVIXFJGXMQMRZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.53
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide (PubChem CID 108993256) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
PubChem CID108993256
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCC(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9(2)7-15-8-13(17)16-10-4-5-12(18-3)11(14)6-10/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeySFVIXFJGXMQMRZ-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83194842
2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468596
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94271574
(2S)-2-amino-N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 82963168
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001204
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide (CID 108993256) is N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide is COc1ccc(NC(=O)CNCC(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide?
The InChIKey is SFVIXFJGXMQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)7-15-8-13(17)16-10-4-5-12(18-3)11(14)6-10/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 108993256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).