3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide

C14H18ClNO2 — CID 60654225

IUPAC3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-2-7-16(9-10-3-4-10)14(18)11-5-6-13(17)12(15)8-11/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyOLIXHRPILTVFKU-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.31
Rot. Bonds5

About 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide

3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide (PubChem CID 60654225) 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-propylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
PubChem CID60654225
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-2-7-16(9-10-3-4-10)14(18)11-5-6-13(17)12(15)8-11/h5-6,8,10,17H,2-4,7,9H2,1H3
InChIKeyOLIXHRPILTVFKU-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-chloro-N-(cyclopropylmethyl)-3-methylsulfonyl-N-propylbenzamide
CID 78785868
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
4-(3-aminoprop-1-ynyl)-3-chloro-N-(cyclopropylmethyl)-N-propylbenzamide
CID 81294754
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
2-amino-6-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 55041470
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
N-(cyclopropylmethyl)-3-hydroxy-N-propylnaphthalene-2-carboxamide
CID 60654196

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide (CID 60654225) is 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide?
The InChIKey is OLIXHRPILTVFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-7-16(9-10-3-4-10)14(18)11-5-6-13(17)12(15)8-11/h5-6,8,10,17H,2-4,7,9H2,1H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide?
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide has a molecular weight of 267.76 g/mol, XLogP of 3.31, 5 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-propylbenzamide is sourced from PubChem (CID 60654225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).