(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide

C19H22BrN3O2 — CID 51724863

IUPAC(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrN3O2/c1-12(2)14-4-3-5-16(10-14)22-18(24)11-17(23-19(21)25)13-6-8-15(20)9-7-13/h3-10,12,17H,11H2,1-2H3,(H,22,24)(H3,21,23,25)/t17-/m1/s1
InChIKeyCKNUJILWIPHSIG-QGZVFWFLSA-N
MW404.31 g/mol
LogP4.31
Rot. Bonds6

About (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide

(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide (PubChem CID 51724863) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
PubChem CID51724863
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
SMILESCC(C)c1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrN3O2/c1-12(2)14-4-3-5-16(10-14)22-18(24)11-17(23-19(21)25)13-6-8-15(20)9-7-13/h3-10,12,17H,11H2,1-2H3,(H,22,24)(H3,21,23,25)/t17-/m1/s1
InChIKeyCKNUJILWIPHSIG-QGZVFWFLSA-N
XLogP4.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 51727191
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(2S)-2-phenylbutyl]propanamide
CID 39678132
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720
3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 4792198
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide?
The IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide (CID 51724863) is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide?
The canonical SMILES for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide is CC(C)c1cccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide?
The InChIKey is CKNUJILWIPHSIG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-12(2)14-4-3-5-16(10-14)22-18(24)11-17(23-19(21)25)13-6-8-15(20)9-7-13/h3-10,12,17H,11H2,1-2H3,(H,22,24)(H3,21,23,25)/t17-/m1/s1.
What are the key properties of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide?
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide has a molecular weight of 404.31 g/mol, XLogP of 4.31, 6 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-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 51724863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).