N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide

C16H16ClFN2O — CID 107990677

IUPACN-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
SMILESNC(CCNC(=O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c17-13-7-6-12(10-14(13)18)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21)
InChIKeyALHQZYQXNYXSCR-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.30
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide

N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide (PubChem CID 107990677) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
PubChem CID107990677
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
SMILESNC(CCNC(=O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c17-13-7-6-12(10-14(13)18)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21)
InChIKeyALHQZYQXNYXSCR-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
4-[(3-amino-3-phenylpropyl)amino]-3-fluorobenzamide
CID 80505506
N-(4-amino-4-sulfanylidenebutyl)-4-chloro-3-fluorobenzamide
CID 114024478

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide (CID 107990677) is N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide is NC(CCNC(=O)c1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide?
The InChIKey is ALHQZYQXNYXSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-13-7-6-12(10-14(13)18)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide?
N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 107990677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).