2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide

C22H20ClNO2 — CID 17133169

IUPAC2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCCc2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C22H20ClNO2/c23-21-14-5-4-13-20(21)22(25)24-18-11-6-12-19(16-18)26-15-7-10-17-8-2-1-3-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,24,25)
InChIKeyBNZWZNTXELNHOV-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.60
Rot. Bonds7

About 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide

2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17133169) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17133169
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Name2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCCc2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C22H20ClNO2/c23-21-14-5-4-13-20(21)22(25)24-18-11-6-12-19(16-18)26-15-7-10-17-8-2-1-3-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,24,25)
InChIKeyBNZWZNTXELNHOV-UHFFFAOYSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.60
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-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133168
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142104
2-fluoro-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17133406
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide (CID 17133169) is 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide is O=C(Nc1cccc(OCCCc2ccccc2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is BNZWZNTXELNHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c23-21-14-5-4-13-20(21)22(25)24-18-11-6-12-19(16-18)26-15-7-10-17-8-2-1-3-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,24,25).
What are the key properties of 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide?
2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17133169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).