3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide

C24H24ClNO3 — CID 95733544

IUPAC3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1
InChIInChI=1S/C24H24ClNO3/c1-2-3-14-29-20-11-7-10-18(15-20)24(28)26-22-13-12-19(25)16-21(22)23(27)17-8-5-4-6-9-17/h4-13,15-16,23,27H,2-3,14H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyKQTAHSDDDYRHOB-HSZRJFAPSA-N
MW409.91 g/mol
LogP5.85
Rot. Bonds8

About 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide

3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide (PubChem CID 95733544) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide
PubChem CID95733544
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1
InChIInChI=1S/C24H24ClNO3/c1-2-3-14-29-20-11-7-10-18(15-20)24(28)26-22-13-12-19(25)16-21(22)23(27)17-8-5-4-6-9-17/h4-13,15-16,23,27H,2-3,14H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyKQTAHSDDDYRHOB-HSZRJFAPSA-N
XLogP5.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
3-bromo-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733575
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide?
The IUPAC name of 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide (CID 95733544) is 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide?
The canonical SMILES for 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1.
What is the InChIKey of 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide?
The InChIKey is KQTAHSDDDYRHOB-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-2-3-14-29-20-11-7-10-18(15-20)24(28)26-22-13-12-19(25)16-21(22)23(27)17-8-5-4-6-9-17/h4-13,15-16,23,27H,2-3,14H2,1H3,(H,26,28)/t23-/m1/s1.
What are the key properties of 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide?
3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide has a molecular weight of 409.91 g/mol, XLogP of 5.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]benzamide is sourced from PubChem (CID 95733544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).