N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C14H15ClFN5O — CID 45494171

IUPACN-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C14H15ClFN5O/c15-11-8-10(4-5-12(11)16)18-13(22)14(6-2-1-3-7-14)21-9-17-19-20-21/h4-5,8-9H,1-3,6-7H2,(H,18,22)
InChIKeyVOJGQGIMEGMHHD-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.76
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45494171) has the molecular formula C14H15ClFN5O and a molecular weight of 323.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45494171
Molecular FormulaC14H15ClFN5O
Molecular Weight323.76 g/mol
Exact Mass323.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C14H15ClFN5O/c15-11-8-10(4-5-12(11)16)18-13(22)14(6-2-1-3-7-14)21-9-17-19-20-21/h4-5,8-9H,1-3,6-7H2,(H,18,22)
InChIKeyVOJGQGIMEGMHHD-UHFFFAOYSA-N
XLogP2.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 91821227
2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 136552003
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
N-(3-chloro-4-fluorophenyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519183
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 45493855
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
1-(3-chloro-4-fluorophenyl)-3-[4-(tetrazol-1-yl)phenyl]thiourea
CID 21008637
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45494171) is N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is VOJGQGIMEGMHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5O/c15-11-8-10(4-5-12(11)16)18-13(22)14(6-2-1-3-7-14)21-9-17-19-20-21/h4-5,8-9H,1-3,6-7H2,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 323.76 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45494171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).