3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

C14H17ClN2O2 — CID 47142765

IUPAC3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC(=O)NC1CC1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-1-2-10(8-11)4-7-13(18)16-9-14(19)17-12-5-6-12/h1-3,8,12H,4-7,9H2,(H,16,18)(H,17,19)
InChIKeyNTQZMJQFQHMPJV-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.67
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (PubChem CID 47142765) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
PubChem CID47142765
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC(=O)NC1CC1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-1-2-10(8-11)4-7-13(18)16-9-14(19)17-12-5-6-12/h1-3,8,12H,4-7,9H2,(H,16,18)(H,17,19)
InChIKeyNTQZMJQFQHMPJV-UHFFFAOYSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (CID 47142765) is 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is O=C(CCc1cccc(Cl)c1)NCC(=O)NC1CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The InChIKey is NTQZMJQFQHMPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-3-1-2-10(8-11)4-7-13(18)16-9-14(19)17-12-5-6-12/h1-3,8,12H,4-7,9H2,(H,16,18)(H,17,19).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide has a molecular weight of 280.75 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 47142765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).