1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide

C12H13Cl2N3O2 — CID 119683786

IUPAC1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H13Cl2N3O2/c13-7-1-2-8(14)9(5-7)17-10(18)6-16-11(19)12(15)3-4-12/h1-2,5H,3-4,6,15H2,(H,16,19)(H,17,18)
InChIKeyBHKNIDWUBZLIAJ-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.54
Rot. Bonds4

About 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 119683786) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID119683786
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H13Cl2N3O2/c13-7-1-2-8(14)9(5-7)17-10(18)6-16-11(19)12(15)3-4-12/h1-2,5H,3-4,6,15H2,(H,16,19)(H,17,18)
InChIKeyBHKNIDWUBZLIAJ-UHFFFAOYSA-N
XLogP1.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
CID 119683827
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7936906
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918698
(2S)-2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119268231

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide (CID 119683786) is 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide is NC1(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is BHKNIDWUBZLIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-7-1-2-8(14)9(5-7)17-10(18)6-16-11(19)12(15)3-4-12/h1-2,5H,3-4,6,15H2,(H,16,19)(H,17,18).
What are the key properties of 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 302.16 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119683786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).