N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide

C17H22ClNO — CID 114303546

IUPACN-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1(CCl)CCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H22ClNO/c18-13-16(9-5-2-6-10-16)19-15(20)17(11-12-17)14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,19,20)
InChIKeyHMPTWDMAFDZJDE-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide

N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 114303546) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID114303546
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1(CCl)CCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H22ClNO/c18-13-16(9-5-2-6-10-16)19-15(20)17(11-12-17)14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,19,20)
InChIKeyHMPTWDMAFDZJDE-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 62521476
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
CID 79846404
N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide
CID 62881411
N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 106297128
1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 43360266
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
CID 114300597
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
CID 2518064
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide (CID 114303546) is N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide is O=C(NC1(CCl)CCCCC1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is HMPTWDMAFDZJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-13-16(9-5-2-6-10-16)19-15(20)17(11-12-17)14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,19,20).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 291.82 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 114303546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).