2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

C18H18ClN5O — CID 91777143

IUPAC2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O/c1-12(14-6-8-16(19)9-7-14)18(25)24(2)11-13-4-3-5-15(10-13)17-20-22-23-21-17/h3-10,12H,11H2,1-2H3,(H,20,21,22,23)
InChIKeyGIANJNSVZSBFAB-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 91777143) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
PubChem CID91777143
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O/c1-12(14-6-8-16(19)9-7-14)18(25)24(2)11-13-4-3-5-15(10-13)17-20-22-23-21-17/h3-10,12H,11H2,1-2H3,(H,20,21,22,23)
InChIKeyGIANJNSVZSBFAB-UHFFFAOYSA-N
XLogP3.28
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545
(3S)-N-methyl-3-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]butan-1-amine
CID 99939871
3-(3-but-3-ynyldiazirin-3-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166418818
N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 91771867
2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
CID 91795809
3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 90651564
N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 90649019
(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 39948381
1-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]urea
CID 122567908
5-[3-[(2,5-dichlorophenyl)sulfonylmethyl]phenyl]-2H-tetrazole
CID 148675607
6-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-oxopyran-2,6-dicarboxamide
CID 59356737

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (CID 91777143) is 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is CC(C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is GIANJNSVZSBFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-12(14-6-8-16(19)9-7-14)18(25)24(2)11-13-4-3-5-15(10-13)17-20-22-23-21-17/h3-10,12H,11H2,1-2H3,(H,20,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 355.83 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 91777143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).