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

C13H16ClN5O — CID 63678479

IUPAC3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)CCl)cc1-n1cnnn1
InChIInChI=1S/C13H16ClN5O/c1-9-4-5-10(16-12(20)13(2,3)7-14)6-11(9)19-8-15-17-18-19/h4-6,8H,7H2,1-3H3,(H,16,20)
InChIKeyKGOSLDQNFNIGHI-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.17
Rot. Bonds4

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

3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 63678479) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID63678479
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)CCl)cc1-n1cnnn1
InChIInChI=1S/C13H16ClN5O/c1-9-4-5-10(16-12(20)13(2,3)7-14)6-11(9)19-8-15-17-18-19/h4-6,8H,7H2,1-3H3,(H,16,20)
InChIKeyKGOSLDQNFNIGHI-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.17
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-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224162
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
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
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (CID 63678479) is 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is Cc1ccc(NC(=O)C(C)(C)CCl)cc1-n1cnnn1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is KGOSLDQNFNIGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9-4-5-10(16-12(20)13(2,3)7-14)6-11(9)19-8-15-17-18-19/h4-6,8H,7H2,1-3H3,(H,16,20).
What are the key properties of 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 293.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 63678479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).