N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide

C12H15ClN2O — CID 60647316

IUPACN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-2-9(6-10)7-15-12(16)8-14-11-4-5-11/h1-3,6,11,14H,4-5,7-8H2,(H,15,16)
InChIKeyYXAAMUNWQJASSE-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.71
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide

N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide (PubChem CID 60647316) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
PubChem CID60647316
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-2-9(6-10)7-15-12(16)8-14-11-4-5-11/h1-3,6,11,14H,4-5,7-8H2,(H,15,16)
InChIKeyYXAAMUNWQJASSE-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
2-(cyclopropylamino)-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115158482
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide (CID 60647316) is N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide is O=C(CNC1CC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide?
The InChIKey is YXAAMUNWQJASSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-3-1-2-9(6-10)7-15-12(16)8-14-11-4-5-11/h1-3,6,11,14H,4-5,7-8H2,(H,15,16).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide?
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide has a molecular weight of 238.72 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 60647316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).