2-butoxy-5-chloro-N-(2-phenylethyl)benzamide

C19H22ClNO2 — CID 123526498

IUPAC2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
SMILESCCCCOc1ccc(Cl)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-3-13-23-18-10-9-16(20)14-17(18)19(22)21-12-11-15-7-5-4-6-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,21,22)
InChIKeyYESIPRJJYHIBAK-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.49
Rot. Bonds8

About 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide

2-butoxy-5-chloro-N-(2-phenylethyl)benzamide (PubChem CID 123526498) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
PubChem CID123526498
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
SMILESCCCCOc1ccc(Cl)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-3-13-23-18-10-9-16(20)14-17(18)19(22)21-12-11-15-7-5-4-6-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,21,22)
InChIKeyYESIPRJJYHIBAK-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.49
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

4-[4-[2-[(2-butoxy-5-chlorobenzoyl)amino]ethyl]phenyl]-3-methylbenzoic acid
CID 25270477
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
2-butoxy-5-chlorobenzohydrazide
CID 54795706
2,6-dibutoxy-N-(2-phenylethyl)benzamide
CID 3790486
2-[4-[4-[2-[(2-butoxy-5-chlorobenzoyl)amino]ethyl]phenyl]-2-cyanophenoxy]-2-methylpropanoic acid
CID 25267333
(2S)-2-amino-3-[4-[2-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]phenyl]propanoic acid
CID 70592948
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
4-[4-[2-[(5-bromo-2-butoxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 25271162
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide (CID 123526498) is 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide is CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide?
The InChIKey is YESIPRJJYHIBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-2-3-13-23-18-10-9-16(20)14-17(18)19(22)21-12-11-15-7-5-4-6-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,21,22).
What are the key properties of 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide?
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide has a molecular weight of 331.84 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-chloro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 123526498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).