2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide

C15H19ClN2O — CID 116675198

IUPAC2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide
SMILESCC(C(=O)NC(C)Cc1ccccc1Cl)=C1CNC1
InChIInChI=1S/C15H19ClN2O/c1-10(7-12-5-3-4-6-14(12)16)18-15(19)11(2)13-8-17-9-13/h3-6,10,17H,7-9H2,1-2H3,(H,18,19)
InChIKeySDQXXEVSNSYSMB-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.31
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide

2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide (PubChem CID 116675198) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide
PubChem CID116675198
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide
SMILESCC(C(=O)NC(C)Cc1ccccc1Cl)=C1CNC1
InChIInChI=1S/C15H19ClN2O/c1-10(7-12-5-3-4-6-14(12)16)18-15(19)11(2)13-8-17-9-13/h3-6,10,17H,7-9H2,1-2H3,(H,18,19)
InChIKeySDQXXEVSNSYSMB-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210178
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide (CID 116675198) is 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide is CC(C(=O)NC(C)Cc1ccccc1Cl)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide?
The InChIKey is SDQXXEVSNSYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10(7-12-5-3-4-6-14(12)16)18-15(19)11(2)13-8-17-9-13/h3-6,10,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide?
2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide has a molecular weight of 278.78 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 116675198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).