N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide

C14H17Cl2NO — CID 7241797

IUPACN-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide
SMILESO=C(CCC[C@H]1CC1(Cl)Cl)NCc1ccccc1
InChIInChI=1S/C14H17Cl2NO/c15-14(16)9-12(14)7-4-8-13(18)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1
InChIKeyJQMBRRIETFCMJW-LBPRGKRZSA-N
MW286.20 g/mol
LogP3.67
Rot. Bonds6

About N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide

N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide (PubChem CID 7241797) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide.

Molecular Properties

Compound NameN-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide
PubChem CID7241797
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide
SMILESO=C(CCC[C@H]1CC1(Cl)Cl)NCc1ccccc1
InChIInChI=1S/C14H17Cl2NO/c15-14(16)9-12(14)7-4-8-13(18)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1
InChIKeyJQMBRRIETFCMJW-LBPRGKRZSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-6-oxohexanamide
CID 172715262
N-benzylundecanamide
CID 5078198
N-benzyl-3-chloropropanamide;oxalic acid
CID 70111231
lithium;N-benzyl-3-chloropropanamide;hydride
CID 173211913
potassium;N-benzyl-3-chloropropanamide;hydride
CID 173065814
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
N'-benzylbutanediamide
CID 4682951
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide?
The IUPAC name of N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide (CID 7241797) is N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide.
What is the SMILES notation for N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide?
The canonical SMILES for N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide is O=C(CCC[C@H]1CC1(Cl)Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide?
The InChIKey is JQMBRRIETFCMJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-14(16)9-12(14)7-4-8-13(18)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide?
N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide has a molecular weight of 286.20 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide is sourced from PubChem (CID 7241797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).