N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide

C17H17ClN6O2 — CID 32977030

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)cc1Cl
InChIInChI=1S/C17H17ClN6O2/c1-24-17(21-22-23-24)11-4-3-5-12(8-11)19-10-16(25)20-13-6-7-15(26-2)14(18)9-13/h3-9,19H,10H2,1-2H3,(H,20,25)
InChIKeyWTYMHUDDRFFJIG-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.59
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide (PubChem CID 32977030) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
PubChem CID32977030
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)cc1Cl
InChIInChI=1S/C17H17ClN6O2/c1-24-17(21-22-23-24)11-4-3-5-12(8-11)19-10-16(25)20-13-6-7-15(26-2)14(18)9-13/h3-9,19H,10H2,1-2H3,(H,20,25)
InChIKeyWTYMHUDDRFFJIG-UHFFFAOYSA-N
XLogP2.59
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
CID 55544975
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
N-(3-chloro-4-methoxyphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812610
N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 48782752
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 134002158

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide (CID 32977030) is N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide is COc1ccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
The InChIKey is WTYMHUDDRFFJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-24-17(21-22-23-24)11-4-3-5-12(8-11)19-10-16(25)20-13-6-7-15(26-2)14(18)9-13/h3-9,19H,10H2,1-2H3,(H,20,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide has a molecular weight of 372.82 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 32977030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).