2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide

C14H19ClN2O2 — CID 43697641

IUPAC2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H19ClN2O2/c1-3-9-16-13(18)10(2)17-14(19)12(15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCDTQTZWQJAJCSO-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.00
Rot. Bonds6

About 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide

2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide (PubChem CID 43697641) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
PubChem CID43697641
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H19ClN2O2/c1-3-9-16-13(18)10(2)17-14(19)12(15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCDTQTZWQJAJCSO-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-propylpropanamide
CID 43781317
2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide
CID 42657080
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide
CID 8733244
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide (CID 43697641) is 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide?
The InChIKey is CDTQTZWQJAJCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-9-16-13(18)10(2)17-14(19)12(15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide?
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide is sourced from PubChem (CID 43697641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).