N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

C18H18ClN5O — CID 134012748

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1ccccc1Cl)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H18ClN5O/c1-23(12-15-9-5-6-10-16(15)19)18(25)17(24-13-20-21-22-24)11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKeyQJCPVMOBBIDSDU-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.77
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 134012748) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID134012748
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCN(Cc1ccccc1Cl)C(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H18ClN5O/c1-23(12-15-9-5-6-10-16(15)19)18(25)17(24-13-20-21-22-24)11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3
InChIKeyQJCPVMOBBIDSDU-UHFFFAOYSA-N
XLogP2.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 31852023
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 51237834
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 109479307
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
(2R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 40794418

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 134012748) is N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is CN(Cc1ccccc1Cl)C(=O)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is QJCPVMOBBIDSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-23(12-15-9-5-6-10-16(15)19)18(25)17(24-13-20-21-22-24)11-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 355.83 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 134012748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).