(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide

C19H20ClN5O — CID 97264597

IUPAC(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide
SMILESCN(Cc1ccccc1)C(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O/c1-24(12-15-5-3-2-4-6-15)19(26)11-17(13-25-14-21-22-23-25)16-7-9-18(20)10-8-16/h2-10,14,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyALIUKVQGAOCCHU-QGZVFWFLSA-N
MW369.86 g/mol
LogP3.16
Rot. Bonds7

About (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide

(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide (PubChem CID 97264597) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide
PubChem CID97264597
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide
SMILESCN(Cc1ccccc1)C(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN5O/c1-24(12-15-5-3-2-4-6-15)19(26)11-17(13-25-14-21-22-23-25)16-7-9-18(20)10-8-16/h2-10,14,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyALIUKVQGAOCCHU-QGZVFWFLSA-N
XLogP3.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
CID 71709425
3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)-4-(tetrazol-1-yl)butan-1-one
CID 71703546
(3R)-3-(4-chlorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one
CID 97266554
3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)butanamide
CID 71709731
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
CID 71704289
(3R)-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-(tetrazol-1-yl)butanamide
CID 97266708
N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 51076670
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371
N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918
(1R,9S)-11-[(3S)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 99982825
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide (CID 97264597) is (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide is CN(Cc1ccccc1)C(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide?
The InChIKey is ALIUKVQGAOCCHU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-24(12-15-5-3-2-4-6-15)19(26)11-17(13-25-14-21-22-23-25)16-7-9-18(20)10-8-16/h2-10,14,17H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide?
(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide has a molecular weight of 369.86 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 97264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).