N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide

C13H19ClN2O — CID 60640928

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)15-8-13(17)16-10(3)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyPTMMSSVPKNTBGS-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide

N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 60640928) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID60640928
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(2)15-8-13(17)16-10(3)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyPTMMSSVPKNTBGS-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307629
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306527
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[1-(3-chlorophenyl)ethyl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086132
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 81372786
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide (CID 60640928) is N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is PTMMSSVPKNTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)15-8-13(17)16-10(3)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60640928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).