1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide

C10H10ClN3O3 — CID 65464856

IUPAC1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C10H10ClN3O3/c11-7-5-6(14(16)17)1-2-8(7)13-9(15)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,15)
InChIKeyCBNCIFJYQNJYMP-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.68
Rot. Bonds3

About 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide

1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 65464856) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID65464856
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C10H10ClN3O3/c11-7-5-6(14(16)17)1-2-8(7)13-9(15)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,15)
InChIKeyCBNCIFJYQNJYMP-UHFFFAOYSA-N
XLogP1.68
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
N-(2-chloro-4-nitrophenyl)adamantane-1-carboxamide
CID 4576199
N-(2-chloro-4-nitrophenyl)-4-phenyloxane-4-carboxamide
CID 2952053
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
1-amino-N-(4-chloro-2-nitrophenyl)cyclobutane-1-carboxamide
CID 81178795
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide (CID 65464856) is 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide is NC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1.
What is the InChIKey of 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is CBNCIFJYQNJYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-7-5-6(14(16)17)1-2-8(7)13-9(15)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,15).
What are the key properties of 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide?
1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 255.66 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).