(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide

C21H18BrN3O3 — CID 25355237

IUPAC(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide
SMILESNC(=O)NC(=O)[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H18BrN3O3/c22-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)24-19(20(26)25-21(23)27)14-4-2-1-3-5-14/h1-13,19,24H,(H3,23,25,26,27)/t19-/m1/s1
InChIKeyQKWDYNAUANOZGP-LJQANCHMSA-N
MW440.30 g/mol
LogP4.59
Rot. Bonds6

About (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide

(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide (PubChem CID 25355237) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide
PubChem CID25355237
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide
SMILESNC(=O)NC(=O)[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H18BrN3O3/c22-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)24-19(20(26)25-21(23)27)14-4-2-1-3-5-14/h1-13,19,24H,(H3,23,25,26,27)/t19-/m1/s1
InChIKeyQKWDYNAUANOZGP-LJQANCHMSA-N
XLogP4.59
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
(2S)-2-[4-(2-chlorophenoxy)anilino]-2-phenylacetamide
CID 25344822
(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium
CID 145363334
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
(2R)-2-(benzhydrylamino)-N-carbamoyl-2-phenylacetamide
CID 8596163
2-(4-bromoanilino)-2-(4-iodophenyl)acetamide
CID 114283012
2-anilino-2-phenylacetamide;ethane
CID 142824395
ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509504
N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide
CID 42912111
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
N-(4-methoxyphenyl)-4-[[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]benzamide
CID 17495973

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide (CID 25355237) is (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide is NC(=O)NC(=O)[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide?
The InChIKey is QKWDYNAUANOZGP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c22-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)24-19(20(26)25-21(23)27)14-4-2-1-3-5-14/h1-13,19,24H,(H3,23,25,26,27)/t19-/m1/s1.
What are the key properties of (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide?
(2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide has a molecular weight of 440.30 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-bromophenoxy)anilino]-N-carbamoyl-2-phenylacetamide is sourced from PubChem (CID 25355237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).