N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

C17H21Cl2NO — CID 1448350

IUPACN-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCCC1)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H21Cl2NO/c18-13-6-7-14(15(19)10-13)17(8-9-17)16(21)20-11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,20,21)
InChIKeyTVIAKMYIISRMIF-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.72
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 1448350) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID1448350
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC NameN-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCCC1)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H21Cl2NO/c18-13-6-7-14(15(19)10-13)17(8-9-17)16(21)20-11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,20,21)
InChIKeyTVIAKMYIISRMIF-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 110437487
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
methyl 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylate
CID 3454678
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
CID 119462852
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
CID 68795430
1-(cyclobutylmethyl)-2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111081399
1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 51099492

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 1448350) is N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is O=C(NCC1CCCCC1)C1(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is TVIAKMYIISRMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO/c18-13-6-7-14(15(19)10-13)17(8-9-17)16(21)20-11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,20,21).
What are the key properties of N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 1448350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).