N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide

C18H19BrN2O2 — CID 55833406

IUPACN-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O2/c1-3-17(22)21-16-6-4-5-14(11-16)18(23)20-12(2)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNTNZBLSCNQDEPB-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.29
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide

N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide (PubChem CID 55833406) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
PubChem CID55833406
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O2/c1-3-17(22)21-16-6-4-5-14(11-16)18(23)20-12(2)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNTNZBLSCNQDEPB-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
CID 54791898

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide (CID 55833406) is N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide?
The InChIKey is NTNZBLSCNQDEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-17(22)21-16-6-4-5-14(11-16)18(23)20-12(2)13-7-9-15(19)10-8-13/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide?
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide has a molecular weight of 375.27 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 55833406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).