4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide

C14H18ClNO2 — CID 86814287

IUPAC4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CO)C2CC2)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-7-10(3-6-12(9)15)13(18)16-14(2,8-17)11-4-5-11/h3,6-7,11,17H,4-5,8H2,1-2H3,(H,16,18)
InChIKeyFMUJMTWFIMBXIG-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.54
Rot. Bonds4

About 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide

4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide (PubChem CID 86814287) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
PubChem CID86814287
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CO)C2CC2)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-9-7-10(3-6-12(9)15)13(18)16-14(2,8-17)11-4-5-11/h3,6-7,11,17H,4-5,8H2,1-2H3,(H,16,18)
InChIKeyFMUJMTWFIMBXIG-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107672234
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
CID 84592217
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide
CID 110000339
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-4-methylthiophene-3-carboxamide
CID 97246294
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide (CID 86814287) is 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide is Cc1cc(C(=O)NC(C)(CO)C2CC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide?
The InChIKey is FMUJMTWFIMBXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-7-10(3-6-12(9)15)13(18)16-14(2,8-17)11-4-5-11/h3,6-7,11,17H,4-5,8H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide?
4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 86814287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).