4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide

C14H18ClNO2 — CID 54945824

IUPAC4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H18ClNO2/c1-9(2)16(8-10-3-4-10)14(18)12-6-5-11(15)7-13(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyJTXSBVNSZVHYGU-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.31
Rot. Bonds4

About 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide

4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide (PubChem CID 54945824) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
PubChem CID54945824
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H18ClNO2/c1-9(2)16(8-10-3-4-10)14(18)12-6-5-11(15)7-13(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyJTXSBVNSZVHYGU-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
5-chloro-N-(cyclopropylmethyl)-N-propan-2-yl-2-(propylamino)benzamide
CID 62176897
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
4-chloro-N-(2-cyanoethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54997017
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
3-[cyclopropylmethyl(propan-2-yl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371011
2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide (CID 54945824) is 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is JTXSBVNSZVHYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9(2)16(8-10-3-4-10)14(18)12-6-5-11(15)7-13(12)17/h5-7,9-10,17H,3-4,8H2,1-2H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide?
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 267.76 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 54945824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).