N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide

C16H11ClF3N5O — CID 55616979

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1-n1cnnn1
InChIInChI=1S/C16H11ClF3N5O/c1-9-6-10(2-5-14(9)25-8-21-23-24-25)15(26)22-11-3-4-13(17)12(7-11)16(18,19)20/h2-8H,1H3,(H,22,26)
InChIKeyBGVLJSASLGKPOT-UHFFFAOYSA-N
MW381.75 g/mol
LogP3.90
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55616979) has the molecular formula C16H11ClF3N5O and a molecular weight of 381.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55616979
Molecular FormulaC16H11ClF3N5O
Molecular Weight381.75 g/mol
Exact Mass381.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1-n1cnnn1
InChIInChI=1S/C16H11ClF3N5O/c1-9-6-10(2-5-14(9)25-8-21-23-24-25)15(26)22-11-3-4-13(17)12(7-11)16(18,19)20/h2-8H,1H3,(H,22,26)
InChIKeyBGVLJSASLGKPOT-UHFFFAOYSA-N
XLogP3.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51134126
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922204
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(tetrazol-1-yl)benzamide
CID 55616670
3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 49498363
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 55616979) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1-n1cnnn1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is BGVLJSASLGKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O/c1-9-6-10(2-5-14(9)25-8-21-23-24-25)15(26)22-11-3-4-13(17)12(7-11)16(18,19)20/h2-8H,1H3,(H,22,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 381.75 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55616979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).