N-cycloheptyl-3-(3,4-dichloroanilino)propanamide

C16H22Cl2N2O — CID 109031534

IUPACN-cycloheptyl-3-(3,4-dichloroanilino)propanamide
SMILESO=C(CCNc1ccc(Cl)c(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C16H22Cl2N2O/c17-14-8-7-13(11-15(14)18)19-10-9-16(21)20-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21)
InChIKeyPUBNYJKHGHRKEO-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.63
Rot. Bonds5

About N-cycloheptyl-3-(3,4-dichloroanilino)propanamide

N-cycloheptyl-3-(3,4-dichloroanilino)propanamide (PubChem CID 109031534) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-cycloheptyl-3-(3,4-dichloroanilino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3,4-dichloroanilino)propanamide
PubChem CID109031534
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-cycloheptyl-3-(3,4-dichloroanilino)propanamide
SMILESO=C(CCNc1ccc(Cl)c(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C16H22Cl2N2O/c17-14-8-7-13(11-15(14)18)19-10-9-16(21)20-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21)
InChIKeyPUBNYJKHGHRKEO-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
CID 18096476
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3,4-dichloroanilino)propanamide?
The IUPAC name of N-cycloheptyl-3-(3,4-dichloroanilino)propanamide (CID 109031534) is N-cycloheptyl-3-(3,4-dichloroanilino)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(3,4-dichloroanilino)propanamide?
The canonical SMILES for N-cycloheptyl-3-(3,4-dichloroanilino)propanamide is O=C(CCNc1ccc(Cl)c(Cl)c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(3,4-dichloroanilino)propanamide?
The InChIKey is PUBNYJKHGHRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-14-8-7-13(11-15(14)18)19-10-9-16(21)20-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21).
What are the key properties of N-cycloheptyl-3-(3,4-dichloroanilino)propanamide?
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide has a molecular weight of 329.27 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3,4-dichloroanilino)propanamide is sourced from PubChem (CID 109031534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).