3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide

C12H14ClN3O3 — CID 104836022

IUPAC3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide
SMILESO=C(CCNc1cccc(Cl)c1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C12H14ClN3O3/c13-9-2-1-3-10(12(9)16(18)19)14-7-6-11(17)15-8-4-5-8/h1-3,8,14H,4-7H2,(H,15,17)
InChIKeyPANWNYAACATGRS-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.33
Rot. Bonds6

About 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide

3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide (PubChem CID 104836022) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide
PubChem CID104836022
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide
SMILESO=C(CCNc1cccc(Cl)c1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C12H14ClN3O3/c13-9-2-1-3-10(12(9)16(18)19)14-7-6-11(17)15-8-4-5-8/h1-3,8,14H,4-7H2,(H,15,17)
InChIKeyPANWNYAACATGRS-UHFFFAOYSA-N
XLogP2.33
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.33
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

3-(5-chloro-2-methyl-4-nitroanilino)-N-cyclopropylpropanamide
CID 115555993
3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 79401733
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-nitrobenzoic acid
CID 115542191
N-cyclopropyl-2-[3-(ethylamino)-2-nitroanilino]acetamide
CID 80792309
tert-butyl 4-(3-chloro-2-nitroanilino)piperidine-1-carboxylate
CID 130431417
2-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 104836005
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide
CID 79401201
N'-(3-chloro-2-nitrophenyl)butane-1,4-diamine
CID 104835525
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
3-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106127905
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-nitrobenzamide
CID 115549268
3-(2,3-dichloroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026419

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide (CID 104836022) is 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide is O=C(CCNc1cccc(Cl)c1[N+](=O)[O-])NC1CC1.
What is the InChIKey of 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide?
The InChIKey is PANWNYAACATGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-2-1-3-10(12(9)16(18)19)14-7-6-11(17)15-8-4-5-8/h1-3,8,14H,4-7H2,(H,15,17).
What are the key properties of 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide?
3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide has a molecular weight of 283.71 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-nitroanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 104836022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).