(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide

C22H20BrNO2 — CID 7930955

IUPAC(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20BrNO2/c1-16(26-20-14-12-19(23)13-15-20)22(25)24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3,(H,24,25)/t16-/m1/s1
InChIKeyCPHLKZUQVCHIDW-MRXNPFEDSA-N
MW410.31 g/mol
LogP5.12
Rot. Bonds6

About (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide

(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide (PubChem CID 7930955) has the molecular formula C22H20BrNO2 and a molecular weight of 410.31 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
PubChem CID7930955
Molecular FormulaC22H20BrNO2
Molecular Weight410.31 g/mol
Exact Mass409.07
IUPAC Name(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20BrNO2/c1-16(26-20-14-12-19(23)13-15-20)22(25)24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3,(H,24,25)/t16-/m1/s1
InChIKeyCPHLKZUQVCHIDW-MRXNPFEDSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
(2S)-2-(4-bromophenoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25372368
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 26218057
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572482
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
3-[2-(4-bromophenoxy)propanoylamino]butanoic acid
CID 43240759

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide?
The IUPAC name of (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide (CID 7930955) is (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide is C[C@@H](Oc1ccc(Br)cc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide?
The InChIKey is CPHLKZUQVCHIDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20BrNO2/c1-16(26-20-14-12-19(23)13-15-20)22(25)24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide?
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide has a molecular weight of 410.31 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide is sourced from PubChem (CID 7930955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).