N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide

C10H11Cl2NO — CID 171093295

IUPACN-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
SMILESC[C@H](Cc1ccc(Cl)c(Cl)c1)NC=O
InChIInChI=1S/C10H11Cl2NO/c1-7(13-6-14)4-8-2-3-9(11)10(12)5-8/h2-3,5-7H,4H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeySBQCQMFYISAFPX-SSDOTTSWSA-N
MW232.11 g/mol
LogP2.67
Rot. Bonds4

About N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide

N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide (PubChem CID 171093295) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
PubChem CID171093295
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC NameN-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide
SMILESC[C@H](Cc1ccc(Cl)c(Cl)c1)NC=O
InChIInChI=1S/C10H11Cl2NO/c1-7(13-6-14)4-8-2-3-9(11)10(12)5-8/h2-3,5-7H,4H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeySBQCQMFYISAFPX-SSDOTTSWSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.67
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

N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxyamino]propanal
CID 175095485
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81018871
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
N-(1-cyanocyclopropyl)-3-(3,4-dichlorophenyl)-2-formamidopropanamide
CID 119040523
N-[(2R)-3-(3,4-dichlorophenyl)-1-[(3S)-3-methylmorpholin-4-yl]-1-oxopropan-2-yl]formamide
CID 124729956
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide?
The IUPAC name of N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide (CID 171093295) is N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide?
The canonical SMILES for N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide is C[C@H](Cc1ccc(Cl)c(Cl)c1)NC=O.
What is the InChIKey of N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide?
The InChIKey is SBQCQMFYISAFPX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(13-6-14)4-8-2-3-9(11)10(12)5-8/h2-3,5-7H,4H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide?
N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide has a molecular weight of 232.11 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dichlorophenyl)propan-2-yl]formamide is sourced from PubChem (CID 171093295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).