N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide

C23H19ClN6O2 — CID 22300953

IUPACN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide
SMILESCc1ccc(C(C(N)=O)n2nnc(-c3ccccc3NC(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C23H19ClN6O2/c1-14-9-11-15(12-10-14)20(21(25)31)30-28-22(27-29-30)18-7-2-3-8-19(18)26-23(32)16-5-4-6-17(24)13-16/h2-13,20H,1H3,(H2,25,31)(H,26,32)
InChIKeyKIDYCNFEPHMNQP-UHFFFAOYSA-N
MW446.90 g/mol
LogP3.63
Rot. Bonds6

About N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide

N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide (PubChem CID 22300953) has the molecular formula C23H19ClN6O2 and a molecular weight of 446.90 g/mol. Its IUPAC name is N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide
PubChem CID22300953
Molecular FormulaC23H19ClN6O2
Molecular Weight446.90 g/mol
Exact Mass446.13
IUPAC NameN-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide
SMILESCc1ccc(C(C(N)=O)n2nnc(-c3ccccc3NC(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C23H19ClN6O2/c1-14-9-11-15(12-10-14)20(21(25)31)30-28-22(27-29-30)18-7-2-3-8-19(18)26-23(32)16-5-4-6-17(24)13-16/h2-13,20H,1H3,(H2,25,31)(H,26,32)
InChIKeyKIDYCNFEPHMNQP-UHFFFAOYSA-N
XLogP3.63
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.90
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
CID 22300950
N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
CID 22300951
N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 858288
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353578
N-[2-[(2-aminoacetyl)amino]phenyl]-3-chlorobenzamide
CID 39184246
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
CID 95781242
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
(2S)-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9354256
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide (CID 22300953) is N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide is Cc1ccc(C(C(N)=O)n2nnc(-c3ccccc3NC(=O)c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide?
The InChIKey is KIDYCNFEPHMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2/c1-14-9-11-15(12-10-14)20(21(25)31)30-28-22(27-29-30)18-7-2-3-8-19(18)26-23(32)16-5-4-6-17(24)13-16/h2-13,20H,1H3,(H2,25,31)(H,26,32).
What are the key properties of N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide?
N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide has a molecular weight of 446.90 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 22300953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).