2,2-dichloro-N-(cyclopropylmethyl)propanamide

C7H11Cl2NO — CID 126988443

IUPAC2,2-dichloro-N-(cyclopropylmethyl)propanamide
SMILESCC(Cl)(Cl)C(=O)NCC1CC1
InChIInChI=1S/C7H11Cl2NO/c1-7(8,9)6(11)10-4-5-2-3-5/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFHGHHAOCDLYCLS-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.71
Rot. Bonds3

About 2,2-dichloro-N-(cyclopropylmethyl)propanamide

2,2-dichloro-N-(cyclopropylmethyl)propanamide (PubChem CID 126988443) has the molecular formula C7H11Cl2NO and a molecular weight of 196.08 g/mol. Its IUPAC name is 2,2-dichloro-N-(cyclopropylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-(cyclopropylmethyl)propanamide
PubChem CID126988443
Molecular FormulaC7H11Cl2NO
Molecular Weight196.08 g/mol
Exact Mass195.02
IUPAC Name2,2-dichloro-N-(cyclopropylmethyl)propanamide
SMILESCC(Cl)(Cl)C(=O)NCC1CC1
InChIInChI=1S/C7H11Cl2NO/c1-7(8,9)6(11)10-4-5-2-3-5/h5H,2-4H2,1H3,(H,10,11)
InChIKeyFHGHHAOCDLYCLS-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.71
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

N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
2-amino-2-cyclopropyl-N-(cyclopropylmethyl)propanamide
CID 60867867
2-amino-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135736
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
2,2-dimethyl-3-[(4-methylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 82820923
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
CID 114148256
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114146309
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)propanamide?
The IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)propanamide (CID 126988443) is 2,2-dichloro-N-(cyclopropylmethyl)propanamide.
What is the SMILES notation for 2,2-dichloro-N-(cyclopropylmethyl)propanamide?
The canonical SMILES for 2,2-dichloro-N-(cyclopropylmethyl)propanamide is CC(Cl)(Cl)C(=O)NCC1CC1.
What is the InChIKey of 2,2-dichloro-N-(cyclopropylmethyl)propanamide?
The InChIKey is FHGHHAOCDLYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2NO/c1-7(8,9)6(11)10-4-5-2-3-5/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2,2-dichloro-N-(cyclopropylmethyl)propanamide?
2,2-dichloro-N-(cyclopropylmethyl)propanamide has a molecular weight of 196.08 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(cyclopropylmethyl)propanamide is sourced from PubChem (CID 126988443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).