N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide

C12H11ClFN5O — CID 155949277

IUPACN-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NC(c1ccc(Cl)c(F)c1)c1nn[nH]n1)C1CC1
InChIInChI=1S/C12H11ClFN5O/c13-8-4-3-7(5-9(8)14)10(11-16-18-19-17-11)15-12(20)6-1-2-6/h3-6,10H,1-2H2,(H,15,20)(H,16,17,18,19)
InChIKeyQCRHKVZTDJUHOW-UHFFFAOYSA-N
MW295.71 g/mol
LogP1.61
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide

N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide (PubChem CID 155949277) has the molecular formula C12H11ClFN5O and a molecular weight of 295.71 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide
PubChem CID155949277
Molecular FormulaC12H11ClFN5O
Molecular Weight295.71 g/mol
Exact Mass295.06
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NC(c1ccc(Cl)c(F)c1)c1nn[nH]n1)C1CC1
InChIInChI=1S/C12H11ClFN5O/c13-8-4-3-7(5-9(8)14)10(11-16-18-19-17-11)15-12(20)6-1-2-6/h3-6,10H,1-2H2,(H,15,20)(H,16,17,18,19)
InChIKeyQCRHKVZTDJUHOW-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide
CID 154844192
(3E)-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]hexa-3,5-dienamide
CID 167847204
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 166400577
3-(2,4-dichlorophenyl)-N-[(R)-(3,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]propanamide
CID 100687166
1-acetyl-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
CID 86796507
(E)-3-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]prop-2-enamide
CID 166219275
(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide
CID 166313738
4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide
CID 126816197
(3S)-3-(4-chloro-3-fluorophenyl)-3-[[(3S)-oxane-3-carbonyl]amino]propanoic acid
CID 124700631

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide (CID 155949277) is N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide is O=C(NC(c1ccc(Cl)c(F)c1)c1nn[nH]n1)C1CC1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide?
The InChIKey is QCRHKVZTDJUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN5O/c13-8-4-3-7(5-9(8)14)10(11-16-18-19-17-11)15-12(20)6-1-2-6/h3-6,10H,1-2H2,(H,15,20)(H,16,17,18,19).
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide?
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide has a molecular weight of 295.71 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 155949277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).