(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide

C17H17BrFN3O2 — CID 51727191

IUPAC(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C17H17BrFN3O2/c1-10-2-7-13(8-14(10)19)21-16(23)9-15(22-17(20)24)11-3-5-12(18)6-4-11/h2-8,15H,9H2,1H3,(H,21,23)(H3,20,22,24)/t15-/m1/s1
InChIKeyYSOBCOZAFOBDQJ-OAHLLOKOSA-N
MW394.24 g/mol
LogP3.63
Rot. Bonds5

About (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide

(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 51727191) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID51727191
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C17H17BrFN3O2/c1-10-2-7-13(8-14(10)19)21-16(23)9-15(22-17(20)24)11-3-5-12(18)6-4-11/h2-8,15H,9H2,1H3,(H,21,23)(H3,20,22,24)/t15-/m1/s1
InChIKeyYSOBCOZAFOBDQJ-OAHLLOKOSA-N
XLogP3.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39681855
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 4869879
(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
CID 41172294
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(2S)-2-phenylbutyl]propanamide
CID 39678132
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
CID 24605702

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide (CID 51727191) is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)cc1F.
What is the InChIKey of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is YSOBCOZAFOBDQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c1-10-2-7-13(8-14(10)19)21-16(23)9-15(22-17(20)24)11-3-5-12(18)6-4-11/h2-8,15H,9H2,1H3,(H,21,23)(H3,20,22,24)/t15-/m1/s1.
What are the key properties of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide?
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 394.24 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 51727191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).