3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

C12H14ClN5O — CID 62728665

IUPAC3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)CCl)cc1-n1cnnn1
InChIInChI=1S/C12H14ClN5O/c1-8-3-4-10(15-12(19)9(2)6-13)5-11(8)18-7-14-16-17-18/h3-5,7,9H,6H2,1-2H3,(H,15,19)
InChIKeySWWQPMDKPSNJPL-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.78
Rot. Bonds4

About 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 62728665) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID62728665
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)CCl)cc1-n1cnnn1
InChIInChI=1S/C12H14ClN5O/c1-8-3-4-10(15-12(19)9(2)6-13)5-11(8)18-7-14-16-17-18/h3-5,7,9H,6H2,1-2H3,(H,15,19)
InChIKeySWWQPMDKPSNJPL-UHFFFAOYSA-N
XLogP1.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
2-[4-methyl-3-(tetrazol-1-yl)anilino]butanoic acid
CID 115352922
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
(2S)-2-amino-4-methylsulfanyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide
CID 61154272
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 55614160
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (CID 62728665) is 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is Cc1ccc(NC(=O)C(C)CCl)cc1-n1cnnn1.
What is the InChIKey of 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is SWWQPMDKPSNJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-8-3-4-10(15-12(19)9(2)6-13)5-11(8)18-7-14-16-17-18/h3-5,7,9H,6H2,1-2H3,(H,15,19).
What are the key properties of 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 279.73 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 62728665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).