2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide

C17H17ClN6O2 — CID 1439927

IUPAC2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CNCc2ccc(Cl)cc2)ccc1-n1cnnn1
InChIInChI=1S/C17H17ClN6O2/c1-26-16-8-14(6-7-15(16)24-11-20-22-23-24)21-17(25)10-19-9-12-2-4-13(18)5-3-12/h2-8,11,19H,9-10H2,1H3,(H,21,25)
InChIKeyFTKVZNMQJOAFLA-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.05
Rot. Bonds7

About 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide

2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 1439927) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID1439927
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CNCc2ccc(Cl)cc2)ccc1-n1cnnn1
InChIInChI=1S/C17H17ClN6O2/c1-26-16-8-14(6-7-15(16)24-11-20-22-23-24)21-17(25)10-19-9-12-2-4-13(18)5-3-12/h2-8,11,19H,9-10H2,1H3,(H,21,25)
InChIKeyFTKVZNMQJOAFLA-UHFFFAOYSA-N
XLogP2.05
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-({[3-Methoxy-4-(1,2,3,4-tetrazol-1-YL)phenyl]amino}methyl)-6-methyl-1H-quinolin-2-one
CID 46958631
6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 118955601
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
6-Chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one
CID 155548685
N-(5-Chloro-2-methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 653774
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 3224419
N-(4-methylphenyl)-2-[methyl-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
CID 2563374
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
CID 4788437
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 3224529
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1149733
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-methoxy-3-(tetrazol-1-yl)anilino]acetamide
CID 59708671

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide (CID 1439927) is 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide is COc1cc(NC(=O)CNCc2ccc(Cl)cc2)ccc1-n1cnnn1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is FTKVZNMQJOAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-26-16-8-14(6-7-15(16)24-11-20-22-23-24)21-17(25)10-19-9-12-2-4-13(18)5-3-12/h2-8,11,19H,9-10H2,1H3,(H,21,25).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 372.82 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 1439927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).