N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide

C14H19BrN2O — CID 174564661

IUPACN-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide
SMILES[H]/N=C(/Cc1ccc(Br)cc1)C[C@@H](C)N(C)C(C)=O
InChIInChI=1S/C14H19BrN2O/c1-10(17(3)11(2)18)8-14(16)9-12-4-6-13(15)7-5-12/h4-7,10,16H,8-9H2,1-3H3/b16-14+/t10-/m1/s1
InChIKeyPYVQZOSPGRWYSV-LGMFZICMSA-N
MW311.22 g/mol
LogP3.27
Rot. Bonds5

About N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide

N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide (PubChem CID 174564661) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide
PubChem CID174564661
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide
SMILES[H]/N=C(/Cc1ccc(Br)cc1)C[C@@H](C)N(C)C(C)=O
InChIInChI=1S/C14H19BrN2O/c1-10(17(3)11(2)18)8-14(16)9-12-4-6-13(15)7-5-12/h4-7,10,16H,8-9H2,1-3H3/b16-14+/t10-/m1/s1
InChIKeyPYVQZOSPGRWYSV-LGMFZICMSA-N
XLogP3.27
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide
CID 78843902
4-[3-[acetyl(methyl)amino]butanimidoyl]-5-bromofuran-2-carboxylic acid
CID 174590788
5-(4-bromophenyl)-4-methylpentan-2-one
CID 64718506
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
2-[[2-(4-bromophenyl)acetyl]-butan-2-ylamino]acetic acid
CID 54925961
(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
CID 149334203
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
(2S)-4-imino-N-methyl-5-phenylpentan-2-amine
CID 174586037
N-(2-amino-5-thiophen-3-ylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
CID 174575858
1-(4-bromophenyl)-3-methylbutane-2-thione
CID 57012417
5-[(4-bromophenyl)methyl-methylamino]-3-methylpentan-2-one
CID 166534850

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide?
The IUPAC name of N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide (CID 174564661) is N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide is [H]/N=C(/Cc1ccc(Br)cc1)C[C@@H](C)N(C)C(C)=O.
What is the InChIKey of N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide?
The InChIKey is PYVQZOSPGRWYSV-LGMFZICMSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(17(3)11(2)18)8-14(16)9-12-4-6-13(15)7-5-12/h4-7,10,16H,8-9H2,1-3H3/b16-14+/t10-/m1/s1.
What are the key properties of N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide?
N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide has a molecular weight of 311.22 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide is sourced from PubChem (CID 174564661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).