1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide

C15H21ClN2O — CID 54891719

IUPAC1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(Nc2ccccc2Cl)(C(N)=O)CC1
InChIInChI=1S/C15H21ClN2O/c1-2-11-7-9-15(10-8-11,14(17)19)18-13-6-4-3-5-12(13)16/h3-6,11,18H,2,7-10H2,1H3,(H2,17,19)
InChIKeyFDPDBMQRACUKSD-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.58
Rot. Bonds4

About 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide

1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide (PubChem CID 54891719) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
PubChem CID54891719
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(Nc2ccccc2Cl)(C(N)=O)CC1
InChIInChI=1S/C15H21ClN2O/c1-2-11-7-9-15(10-8-11,14(17)19)18-13-6-4-3-5-12(13)16/h3-6,11,18H,2,7-10H2,1H3,(H2,17,19)
InChIKeyFDPDBMQRACUKSD-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide (CID 54891719) is 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide is CCC1CCC(Nc2ccccc2Cl)(C(N)=O)CC1.
What is the InChIKey of 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide?
The InChIKey is FDPDBMQRACUKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-11-7-9-15(10-8-11,14(17)19)18-13-6-4-3-5-12(13)16/h3-6,11,18H,2,7-10H2,1H3,(H2,17,19).
What are the key properties of 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide?
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 54891719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).