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

C18H18Cl2N2O2 — CID 110286652

IUPAC2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(2)21-18(24)16(12-6-4-3-5-7-12)22-17(23)14-9-8-13(19)10-15(14)20/h3-11,16H,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1
InChIKeyKWIFYXFKCPGASG-INIZCTEOSA-N
MW365.26 g/mol
LogP3.99
Rot. Bonds5

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

2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 110286652) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID110286652
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11(2)21-18(24)16(12-6-4-3-5-7-12)22-17(23)14-9-8-13(19)10-15(14)20/h3-11,16H,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1
InChIKeyKWIFYXFKCPGASG-INIZCTEOSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 5184696
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20834599
2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
CID 68576201
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 110286640
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide (CID 110286652) is 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is KWIFYXFKCPGASG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11(2)21-18(24)16(12-6-4-3-5-7-12)22-17(23)14-9-8-13(19)10-15(14)20/h3-11,16H,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide?
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 365.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 110286652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).