N-[(4-amino-2-chlorophenyl)methyl]acetamide

C9H11ClN2O — CID 142080080

IUPACN-[(4-amino-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(N)cc1Cl
InChIInChI=1S/C9H11ClN2O/c1-6(13)12-5-7-2-3-8(11)4-9(7)10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyFWCMKXTZIAOADE-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.56
Rot. Bonds2

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

N-[(4-amino-2-chlorophenyl)methyl]acetamide (PubChem CID 142080080) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-[(4-amino-2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-amino-2-chlorophenyl)methyl]acetamide
PubChem CID142080080
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-[(4-amino-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(N)cc1Cl
InChIInChI=1S/C9H11ClN2O/c1-6(13)12-5-7-2-3-8(11)4-9(7)10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyFWCMKXTZIAOADE-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.56
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-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-[(2,5-diaminophenyl)methyl]acetamide;dihydrochloride
CID 18415482
N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide
CID 143763742
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
N-[(5-acetyl-2-chlorophenyl)methyl]acetamide
CID 11858678
methyl (2S)-2-amino-3-(4-amino-2-chlorophenyl)propanoate
CID 171238434
3,4-dichloroaniline;3-oxobutanoic acid
CID 70628865
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
1-(4-amino-2-chlorophenyl)-3-(cyanomethyl)urea
CID 108864717
N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
CID 67148459

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-chlorophenyl)methyl]acetamide?
The IUPAC name of N-[(4-amino-2-chlorophenyl)methyl]acetamide (CID 142080080) is N-[(4-amino-2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-amino-2-chlorophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-amino-2-chlorophenyl)methyl]acetamide is CC(=O)NCc1ccc(N)cc1Cl.
What is the InChIKey of N-[(4-amino-2-chlorophenyl)methyl]acetamide?
The InChIKey is FWCMKXTZIAOADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6(13)12-5-7-2-3-8(11)4-9(7)10/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of N-[(4-amino-2-chlorophenyl)methyl]acetamide?
N-[(4-amino-2-chlorophenyl)methyl]acetamide has a molecular weight of 198.65 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 142080080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).