N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide

C22H25ClN6O — CID 53324132

IUPACN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide
SMILESCc1cc(NC2CCCCC2)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1
InChIInChI=1S/C22H25ClN6O/c1-15-9-16(12-20(10-15)26-19-5-3-2-4-6-19)22(30)24-13-17-11-18(23)7-8-21(17)29-14-25-27-28-29/h7-12,14,19,26H,2-6,13H2,1H3,(H,24,30)
InChIKeyUAOUFXRAVCETFJ-UHFFFAOYSA-N
MW424.94 g/mol
LogP4.30
Rot. Bonds6

About N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide (PubChem CID 53324132) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide
PubChem CID53324132
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide
SMILESCc1cc(NC2CCCCC2)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1
InChIInChI=1S/C22H25ClN6O/c1-15-9-16(12-20(10-15)26-19-5-3-2-4-6-19)22(30)24-13-17-11-18(23)7-8-21(17)29-14-25-27-28-29/h7-12,14,19,26H,2-6,13H2,1H3,(H,24,30)
InChIKeyUAOUFXRAVCETFJ-UHFFFAOYSA-N
XLogP4.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(5-chloro-2-tetrazol-1-yl-benzyl)-acetamide
CID 44333061
N1-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 51003506
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclohexyl(methylsulfonyl)amino]-5-methylbenzamide
CID 53326298
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
4-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]benzamide
CID 25166807
(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-N-(4-cyanophenyl)-3-phenylpropanamide
CID 25166808
methyl N-[4-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]phenyl]carbamate
CID 25167018
methyl N-[3-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]phenyl]carbamate
CID 59401924
methyl N-[4-[[(2S)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl]carbamate
CID 59401978
(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 59402125
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide?
The IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide (CID 53324132) is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide.
What is the SMILES notation for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide?
The canonical SMILES for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide is Cc1cc(NC2CCCCC2)cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)c1.
What is the InChIKey of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide?
The InChIKey is UAOUFXRAVCETFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-15-9-16(12-20(10-15)26-19-5-3-2-4-6-19)22(30)24-13-17-11-18(23)7-8-21(17)29-14-25-27-28-29/h7-12,14,19,26H,2-6,13H2,1H3,(H,24,30).
What are the key properties of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide?
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide has a molecular weight of 424.94 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-(cyclohexylamino)-5-methylbenzamide is sourced from PubChem (CID 53324132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).