N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide

C13H17ClN2O — CID 43401773

IUPACN-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
SMILESCC(NCC(=O)Nc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9(10-5-6-10)15-8-13(17)16-12-4-2-3-11(14)7-12/h2-4,7,9-10,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyLLAHCYKRLWCDOB-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.67
Rot. Bonds5

About N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide

N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide (PubChem CID 43401773) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
PubChem CID43401773
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
SMILESCC(NCC(=O)Nc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C13H17ClN2O/c1-9(10-5-6-10)15-8-13(17)16-12-4-2-3-11(14)7-12/h2-4,7,9-10,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyLLAHCYKRLWCDOB-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905
N-(3-chlorophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetamide
CID 63298595
2-(but-3-yn-2-ylamino)-N-(3-chlorophenyl)acetamide
CID 114416777
2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 81388783
N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
CID 62406464
N-(3-chlorophenyl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]acetamide
CID 106160874
methyl 2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692670
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide (CID 43401773) is N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide is CC(NCC(=O)Nc1cccc(Cl)c1)C1CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide?
The InChIKey is LLAHCYKRLWCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(10-5-6-10)15-8-13(17)16-12-4-2-3-11(14)7-12/h2-4,7,9-10,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide?
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide has a molecular weight of 252.75 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide is sourced from PubChem (CID 43401773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).