N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide

C11H10ClN3O3 — CID 78908576

IUPACN-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-2-5-13-7-11(16)14-10-4-3-8(15(17)18)6-9(10)12/h1,3-4,6,13H,5,7H2,(H,14,16)
InChIKeyMPFNGSXCJMNGIL-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.41
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide

N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78908576) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78908576
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-2-5-13-7-11(16)14-10-4-3-8(15(17)18)6-9(10)12/h1,3-4,6,13H,5,7H2,(H,14,16)
InChIKeyMPFNGSXCJMNGIL-UHFFFAOYSA-N
XLogP1.41
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722691
N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908681
3-chloro-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79271626
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
N-(2-chloro-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 2892723
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide (CID 78908576) is N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is MPFNGSXCJMNGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-2-5-13-7-11(16)14-10-4-3-8(15(17)18)6-9(10)12/h1,3-4,6,13H,5,7H2,(H,14,16).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide?
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 267.67 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78908576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).