2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide

C18H19ClN6O — CID 167894331

IUPAC2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C18H19ClN6O/c1-12-4-5-13(10-24(2)3)8-17(12)21-18(26)15-7-6-14(9-16(15)19)25-11-20-22-23-25/h4-9,11H,10H2,1-3H3,(H,21,26)
InChIKeySRXNWXAAGAREMY-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.94
Rot. Bonds5

About 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide

2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 167894331) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide
PubChem CID167894331
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C18H19ClN6O/c1-12-4-5-13(10-24(2)3)8-17(12)21-18(26)15-7-6-14(9-16(15)19)25-11-20-22-23-25/h4-9,11H,10H2,1-3H3,(H,21,26)
InChIKeySRXNWXAAGAREMY-UHFFFAOYSA-N
XLogP2.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
CID 55780794
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269
4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
CID 119895304
3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 154803232
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 120945715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide (CID 167894331) is 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide is Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl.
What is the InChIKey of 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is SRXNWXAAGAREMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-12-4-5-13(10-24(2)3)8-17(12)21-18(26)15-7-6-14(9-16(15)19)25-11-20-22-23-25/h4-9,11H,10H2,1-3H3,(H,21,26).
What are the key properties of 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide?
2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 370.84 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 167894331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).