4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide

C18H19BrN2O2 — CID 110286608

IUPAC4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-12(2)20-18(23)16(13-6-4-3-5-7-13)21-17(22)14-8-10-15(19)11-9-14/h3-12,16H,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyWSNCQAYJRGQASS-INIZCTEOSA-N
MW375.27 g/mol
LogP3.44
Rot. Bonds5

About 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide

4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 110286608) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID110286608
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-12(2)20-18(23)16(13-6-4-3-5-7-13)21-17(22)14-8-10-15(19)11-9-14/h3-12,16H,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyWSNCQAYJRGQASS-INIZCTEOSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 110286640
3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110626082
N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
CID 6991228
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
2-[[2-(dimethylamino)-2-phenylacetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626026
(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide
CID 110306089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (CID 110286608) is 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is WSNCQAYJRGQASS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12(2)20-18(23)16(13-6-4-3-5-7-13)21-17(22)14-8-10-15(19)11-9-14/h3-12,16H,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 110286608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).