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

C21H24N6O — CID 51134126

IUPACN-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(NCC3CCCC3)cc2)ccc1-n1cnnn1
InChIInChI=1S/C21H24N6O/c1-15-12-17(6-11-20(15)27-14-23-25-26-27)21(28)24-19-9-7-18(8-10-19)22-13-16-4-2-3-5-16/h6-12,14,16,22H,2-5,13H2,1H3,(H,24,28)
InChIKeyVZYRQYGYKBVMEW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.83
Rot. Bonds6

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

N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 51134126) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID51134126
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(NCC3CCCC3)cc2)ccc1-n1cnnn1
InChIInChI=1S/C21H24N6O/c1-15-12-17(6-11-20(15)27-14-23-25-26-27)21(28)24-19-9-7-18(8-10-19)22-13-16-4-2-3-5-16/h6-12,14,16,22H,2-5,13H2,1H3,(H,24,28)
InChIKeyVZYRQYGYKBVMEW-UHFFFAOYSA-N
XLogP3.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
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
methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 55616965
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 37224623
N-[(1R,2S)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 37224624
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62659787

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 51134126) is N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)Nc2ccc(NCC3CCCC3)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is VZYRQYGYKBVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-12-17(6-11-20(15)27-14-23-25-26-27)21(28)24-19-9-7-18(8-10-19)22-13-16-4-2-3-5-16/h6-12,14,16,22H,2-5,13H2,1H3,(H,24,28).
What are the key properties of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51134126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).