2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide

C13H14N4O3 — CID 133441782

IUPAC2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NCC(=O)NCC1CC1
InChIInChI=1S/C13H14N4O3/c14-6-10-5-11(17(19)20)3-4-12(10)15-8-13(18)16-7-9-1-2-9/h3-5,9,15H,1-2,7-8H2,(H,16,18)
InChIKeyGHWFIEBIIFXFGL-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide

2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide (PubChem CID 133441782) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide
PubChem CID133441782
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NCC(=O)NCC1CC1
InChIInChI=1S/C13H14N4O3/c14-6-10-5-11(17(19)20)3-4-12(10)15-8-13(18)16-7-9-1-2-9/h3-5,9,15H,1-2,7-8H2,(H,16,18)
InChIKeyGHWFIEBIIFXFGL-UHFFFAOYSA-N
XLogP1.40
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-nitroanilino]acetamide
CID 133441776
2-[(3-hydroxycyclobutyl)methylamino]-5-nitrobenzonitrile
CID 66006135
N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
CID 133441931
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
2-(2-chloroprop-2-enylamino)-5-nitrobenzonitrile
CID 115637263
2-(2-cyano-4-nitroanilino)-N,N-diethylacetamide
CID 47419478
5-nitro-2-(oxan-3-ylmethylamino)benzonitrile
CID 47292423
tert-butyl N-[2-(2-cyano-4-nitroanilino)ethyl]carbamate
CID 103628271
2-(tert-butylamino)-N-(2-cyano-4-nitrophenyl)acetamide
CID 78907414
N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 23826376
N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028928
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide (CID 133441782) is 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide is N#Cc1cc([N+](=O)[O-])ccc1NCC(=O)NCC1CC1.
What is the InChIKey of 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide?
The InChIKey is GHWFIEBIIFXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-6-10-5-11(17(19)20)3-4-12(10)15-8-13(18)16-7-9-1-2-9/h3-5,9,15H,1-2,7-8H2,(H,16,18).
What are the key properties of 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide?
2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-nitroanilino)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 133441782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).