2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide

C15H17Cl2NO — CID 42938996

IUPAC2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2(c3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO/c1-13(9-15(13,16)17)12(19)18-10-14(7-8-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,19)
InChIKeyPKCRDCIMSUMEKC-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.42
Rot. Bonds4

About 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide (PubChem CID 42938996) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide
PubChem CID42938996
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2(c3ccccc3)CC2)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO/c1-13(9-15(13,16)17)12(19)18-10-14(7-8-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,19)
InChIKeyPKCRDCIMSUMEKC-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.42
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

2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylcyclopropyl)methyl]urea
CID 30303125
4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide (CID 42938996) is 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide is CC1(C(=O)NCC2(c3ccccc3)CC2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is PKCRDCIMSUMEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-13(9-15(13,16)17)12(19)18-10-14(7-8-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,18,19).
What are the key properties of 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 298.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 42938996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).