N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide

C10H12BrNO — CID 125472845

IUPACN-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
SMILESC[C@H](Cc1cccc(Br)c1)NC=O
InChIInChI=1S/C10H12BrNO/c1-8(12-7-13)5-9-3-2-4-10(11)6-9/h2-4,6-8H,5H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyHSUBRNBODLTYHG-MRVPVSSYSA-N
MW242.12 g/mol
LogP2.13
Rot. Bonds4

About N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide

N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide (PubChem CID 125472845) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
PubChem CID125472845
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
SMILESC[C@H](Cc1cccc(Br)c1)NC=O
InChIInChI=1S/C10H12BrNO/c1-8(12-7-13)5-9-3-2-4-10(11)6-9/h2-4,6-8H,5H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyHSUBRNBODLTYHG-MRVPVSSYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
CID 169435063
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide
CID 159115326
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
CID 171093295
(E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 115890217
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
CID 115705338
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528161
4-(3-bromophenyl)-3-methylbutanoic acid
CID 67126232
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide?
The IUPAC name of N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide (CID 125472845) is N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide.
What is the SMILES notation for N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide?
The canonical SMILES for N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide is C[C@H](Cc1cccc(Br)c1)NC=O.
What is the InChIKey of N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide?
The InChIKey is HSUBRNBODLTYHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-8(12-7-13)5-9-3-2-4-10(11)6-9/h2-4,6-8H,5H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide?
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide has a molecular weight of 242.12 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide is sourced from PubChem (CID 125472845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).