N-tert-butyl-4-chloro-2-methylbenzamide

C12H16ClNO — CID 59804554

IUPACN-tert-butyl-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NC(C)(C)C
InChIInChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)11(15)14-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyMQUBOPAINSCDOK-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.18
Rot. Bonds1

About N-tert-butyl-4-chloro-2-methylbenzamide

N-tert-butyl-4-chloro-2-methylbenzamide (PubChem CID 59804554) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-2-methylbenzamide
PubChem CID59804554
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-tert-butyl-4-chloro-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NC(C)(C)C
InChIInChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)11(15)14-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyMQUBOPAINSCDOK-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257099
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
4-chloro-2-methylbenzoic acid;ethane
CID 145482472
N-tert-butyl-4-methoxy-2,5-dimethylbenzamide
CID 110761615
4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
2-chloro-1-(4-chloro-2-methylphenyl)-2,2-difluoroethanone
CID 91658436
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
4-(4-chloro-2-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727274

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-2-methylbenzamide?
The IUPAC name of N-tert-butyl-4-chloro-2-methylbenzamide (CID 59804554) is N-tert-butyl-4-chloro-2-methylbenzamide.
What is the SMILES notation for N-tert-butyl-4-chloro-2-methylbenzamide?
The canonical SMILES for N-tert-butyl-4-chloro-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-chloro-2-methylbenzamide?
The InChIKey is MQUBOPAINSCDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-7-9(13)5-6-10(8)11(15)14-12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-4-chloro-2-methylbenzamide?
N-tert-butyl-4-chloro-2-methylbenzamide has a molecular weight of 225.72 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-2-methylbenzamide is sourced from PubChem (CID 59804554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).