N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide

C18H20BrClN2O — CID 9307629

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N[C@H](C)c1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20BrClN2O/c1-12(15-4-3-5-17(20)10-15)21-11-18(23)22-13(2)14-6-8-16(19)9-7-14/h3-10,12-13,21H,11H2,1-2H3,(H,22,23)/t12-,13+/m0/s1
InChIKeyWRAXLIRIRIVOOX-QWHCGFSZSA-N
MW395.73 g/mol
LogP4.63
Rot. Bonds6

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9307629) has the molecular formula C18H20BrClN2O and a molecular weight of 395.73 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
PubChem CID9307629
Molecular FormulaC18H20BrClN2O
Molecular Weight395.73 g/mol
Exact Mass394.04
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N[C@H](C)c1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20BrClN2O/c1-12(15-4-3-5-17(20)10-15)21-11-18(23)22-13(2)14-6-8-16(19)9-7-14/h3-10,12-13,21H,11H2,1-2H3,(H,22,23)/t12-,13+/m0/s1
InChIKeyWRAXLIRIRIVOOX-QWHCGFSZSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306527
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[1-(3-chlorophenyl)ethyl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086132
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide (CID 9307629) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)N[C@H](C)c1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is WRAXLIRIRIVOOX-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20BrClN2O/c1-12(15-4-3-5-17(20)10-15)21-11-18(23)22-13(2)14-6-8-16(19)9-7-14/h3-10,12-13,21H,11H2,1-2H3,(H,22,23)/t12-,13+/m0/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 395.73 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9307629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).