4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide

C14H18Cl2N2O — CID 43433251

IUPAC4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c15-11-4-1-10(13(16)7-11)8-18-12-5-2-9(3-6-12)14(17)19/h1,4,7,9,12,18H,2-3,5-6,8H2,(H2,17,19)
InChIKeyLKGSZUDPEZUUSW-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.13
Rot. Bonds4

About 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide

4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide (PubChem CID 43433251) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
PubChem CID43433251
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c15-11-4-1-10(13(16)7-11)8-18-12-5-2-9(3-6-12)14(17)19/h1,4,7,9,12,18H,2-3,5-6,8H2,(H2,17,19)
InChIKeyLKGSZUDPEZUUSW-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-carbamoylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107452622
4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 112651890
4-[(2-chloro-5-nitrophenyl)methylamino]cyclohexane-1-carboxamide
CID 43748824
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
4-[(2,3-dihydroxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61317470
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CID 95585226
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CID 78978000
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CID 116557220
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
CID 143080621

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide (CID 43433251) is 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is LKGSZUDPEZUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-11-4-1-10(13(16)7-11)8-18-12-5-2-9(3-6-12)14(17)19/h1,4,7,9,12,18H,2-3,5-6,8H2,(H2,17,19).
What are the key properties of 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide?
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43433251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).