3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide

C12H17ClN2O2 — CID 115153007

IUPAC3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-17-10-3-2-9(11(13)8-10)5-7-15-12(16)4-6-14/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyZFCSYPHRAQVHJN-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.36
Rot. Bonds6

About 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide

3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide (PubChem CID 115153007) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
PubChem CID115153007
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-17-10-3-2-9(11(13)8-10)5-7-15-12(16)4-6-14/h2-3,8H,4-7,14H2,1H3,(H,15,16)
InChIKeyZFCSYPHRAQVHJN-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide 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

2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025643
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
3-chloro-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]propanamide
CID 82109398
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide (CID 115153007) is 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCN)c(Cl)c1.
What is the InChIKey of 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide?
The InChIKey is ZFCSYPHRAQVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-10-3-2-9(11(13)8-10)5-7-15-12(16)4-6-14/h2-3,8H,4-7,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide?
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide has a molecular weight of 256.73 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 115153007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).