2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide

C15H22ClNO2 — CID 106501622

IUPAC2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cc(O)ccc1Cl)C(C)C
InChIInChI=1S/C15H22ClNO2/c1-4-5-6-9-17(11(2)3)15(19)13-10-12(18)7-8-14(13)16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyLTHSUKDMEBIREB-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.09
Rot. Bonds6

About 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide

2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 106501622) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
PubChem CID106501622
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cc(O)ccc1Cl)C(C)C
InChIInChI=1S/C15H22ClNO2/c1-4-5-6-9-17(11(2)3)15(19)13-10-12(18)7-8-14(13)16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyLTHSUKDMEBIREB-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026400
N-(2-bromoethyl)-2-chloro-5-hydroxy-N-propan-2-ylbenzamide
CID 106503099
3-[(2-chloro-5-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 106500210
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290
2-[butan-2-yl-(2-chloro-5-hydroxybenzoyl)amino]acetic acid
CID 106500217
N-(2-chloroethyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107725804
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide (CID 106501622) is 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1cc(O)ccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is LTHSUKDMEBIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-5-6-9-17(11(2)3)15(19)13-10-12(18)7-8-14(13)16/h7-8,10-11,18H,4-6,9H2,1-3H3.
What are the key properties of 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide?
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 106501622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).