3-(3-chloroanilino)-N-cycloheptylpropanamide

C16H23ClN2O — CID 109031475

IUPAC3-(3-chloroanilino)-N-cycloheptylpropanamide
SMILESO=C(CCNc1cccc(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C16H23ClN2O/c17-13-6-5-9-15(12-13)18-11-10-16(20)19-14-7-3-1-2-4-8-14/h5-6,9,12,14,18H,1-4,7-8,10-11H2,(H,19,20)
InChIKeyBYUJGCLSCJSBLB-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.98
Rot. Bonds5

About 3-(3-chloroanilino)-N-cycloheptylpropanamide

3-(3-chloroanilino)-N-cycloheptylpropanamide (PubChem CID 109031475) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-cycloheptylpropanamide
PubChem CID109031475
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-(3-chloroanilino)-N-cycloheptylpropanamide
SMILESO=C(CCNc1cccc(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C16H23ClN2O/c17-13-6-5-9-15(12-13)18-11-10-16(20)19-14-7-3-1-2-4-8-14/h5-6,9,12,14,18H,1-4,7-8,10-11H2,(H,19,20)
InChIKeyBYUJGCLSCJSBLB-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-cycloheptylpropanamide?
The IUPAC name of 3-(3-chloroanilino)-N-cycloheptylpropanamide (CID 109031475) is 3-(3-chloroanilino)-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-cycloheptylpropanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-cycloheptylpropanamide is O=C(CCNc1cccc(Cl)c1)NC1CCCCCC1.
What is the InChIKey of 3-(3-chloroanilino)-N-cycloheptylpropanamide?
The InChIKey is BYUJGCLSCJSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-13-6-5-9-15(12-13)18-11-10-16(20)19-14-7-3-1-2-4-8-14/h5-6,9,12,14,18H,1-4,7-8,10-11H2,(H,19,20).
What are the key properties of 3-(3-chloroanilino)-N-cycloheptylpropanamide?
3-(3-chloroanilino)-N-cycloheptylpropanamide has a molecular weight of 294.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-N-cycloheptylpropanamide is sourced from PubChem (CID 109031475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).