(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide

C16H16BrN3O3 — CID 25481714

IUPAC(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
SMILESC[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3O3/c1-10(19-16(18)22)15(21)20-12-4-8-14(9-5-12)23-13-6-2-11(17)3-7-13/h2-10H,1H3,(H,20,21)(H3,18,19,22)/t10-/m1/s1
InChIKeyJCTVBCIMMLRUSP-SNVBAGLBSA-N
MW378.23 g/mol
LogP3.24
Rot. Bonds5

About (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide

(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide (PubChem CID 25481714) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
PubChem CID25481714
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC Name(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
SMILESC[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3O3/c1-10(19-16(18)22)15(21)20-12-4-8-14(9-5-12)23-13-6-2-11(17)3-7-13/h2-10H,1H3,(H,20,21)(H3,18,19,22)/t10-/m1/s1
InChIKeyJCTVBCIMMLRUSP-SNVBAGLBSA-N
XLogP3.24
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
CID 7824756
(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
CID 41094177
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide?
The IUPAC name of (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide (CID 25481714) is (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide.
What is the SMILES notation for (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide?
The canonical SMILES for (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide is C[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide?
The InChIKey is JCTVBCIMMLRUSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c1-10(19-16(18)22)15(21)20-12-4-8-14(9-5-12)23-13-6-2-11(17)3-7-13/h2-10H,1H3,(H,20,21)(H3,18,19,22)/t10-/m1/s1.
What are the key properties of (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide?
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide has a molecular weight of 378.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide is sourced from PubChem (CID 25481714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).