2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide

C16H22F2N2O — CID 43673699

IUPAC2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
SMILESCCCC1CCC(Nc2cc(C(N)=O)c(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O/c1-2-3-10-4-6-11(7-5-10)20-15-8-12(16(19)21)13(17)9-14(15)18/h8-11,20H,2-7H2,1H3,(H2,19,21)
InChIKeyONHPPKLMJDNGHX-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.83
Rot. Bonds5

About 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide

2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide (PubChem CID 43673699) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
PubChem CID43673699
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
SMILESCCCC1CCC(Nc2cc(C(N)=O)c(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O/c1-2-3-10-4-6-11(7-5-10)20-15-8-12(16(19)21)13(17)9-14(15)18/h8-11,20H,2-7H2,1H3,(H2,19,21)
InChIKeyONHPPKLMJDNGHX-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2-amino-3-[(4-propylcyclohexyl)amino]benzamide
CID 115545356
2-fluoro-4-[(4-propylcyclohexyl)amino]benzoic acid
CID 115485237
5-[(3-ethylcyclopentyl)amino]-2,4-difluorobenzoic acid
CID 64502134
2-fluoro-6-[(4-propylcyclohexyl)amino]benzenecarbothioamide
CID 79513531
2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide
CID 106871627
2-fluoro-5-methyl-N-(4-propylcyclohexyl)aniline
CID 28968119
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
CID 79941342
5-[(2,5-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761998
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 62376796

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide (CID 43673699) is 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide is CCCC1CCC(Nc2cc(C(N)=O)c(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide?
The InChIKey is ONHPPKLMJDNGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-2-3-10-4-6-11(7-5-10)20-15-8-12(16(19)21)13(17)9-14(15)18/h8-11,20H,2-7H2,1H3,(H2,19,21).
What are the key properties of 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide?
2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43673699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).