N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide

C10H13ClN2O — CID 154361232

IUPACN-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-7(14)13-5-4-8-2-3-10(12)9(11)6-8/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyTWQUEGDAMGHMOW-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.60
Rot. Bonds3

About N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide

N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide (PubChem CID 154361232) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
PubChem CID154361232
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(N)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-7(14)13-5-4-8-2-3-10(12)9(11)6-8/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyTWQUEGDAMGHMOW-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
CID 177417745
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308
3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
2-(4-amino-3-chlorophenyl)ethanol
CID 54268347
2-chloro-4-propylaniline
CID 19914844
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
(2R)-2-acetamido-3-(4-amino-3-chlorophenyl)propanoic acid
CID 69195883
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 115175874
ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
CID 100965495

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide (CID 154361232) is N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide is CC(=O)NCCc1ccc(N)c(Cl)c1.
What is the InChIKey of N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide?
The InChIKey is TWQUEGDAMGHMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(14)13-5-4-8-2-3-10(12)9(11)6-8/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide?
N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide has a molecular weight of 212.68 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 154361232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).