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

C14H18ClNO2 — CID 55000544

IUPAC3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-9(2)16(8-10-3-4-10)14(18)11-5-6-13(17)12(15)7-11/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyHXCVOHWPHQBWNZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide

3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide (PubChem CID 55000544) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
PubChem CID55000544
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-9(2)16(8-10-3-4-10)14(18)11-5-6-13(17)12(15)7-11/h5-7,9-10,17H,3-4,8H2,1-2H3
InChIKeyHXCVOHWPHQBWNZ-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

3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
CID 54943086
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide (CID 55000544) is 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is HXCVOHWPHQBWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9(2)16(8-10-3-4-10)14(18)11-5-6-13(17)12(15)7-11/h5-7,9-10,17H,3-4,8H2,1-2H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide?
3-chloro-N-(cyclopropylmethyl)-4-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 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 55000544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).