(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

C24H26Cl4N2O2 — CID 139058748

IUPAC(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccccc1.C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/2C12H13Cl2NO/c2*1-8(9-5-3-2-4-6-9)15-11(16)10-7-12(10,13)14/h2*2-6,8,10H,7H2,1H3,(H,15,16)/t2*8-,10+/m11/s1
InChIKeyRQXXGIVACMURTA-WTDCLKBOSA-N
MW516.30 g/mol
LogP6.12
Rot. Bonds6

About (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide (PubChem CID 139058748) has the molecular formula C24H26Cl4N2O2 and a molecular weight of 516.30 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
PubChem CID139058748
Molecular FormulaC24H26Cl4N2O2
Molecular Weight516.30 g/mol
Exact Mass514.07
IUPAC Name(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccccc1.C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/2C12H13Cl2NO/c2*1-8(9-5-3-2-4-6-9)15-11(16)10-7-12(10,13)14/h2*2-6,8,10H,7H2,1H3,(H,15,16)/t2*8-,10+/m11/s1
InChIKeyRQXXGIVACMURTA-WTDCLKBOSA-N
XLogP6.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.30
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-difluoro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058749
2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
trans-(1S,3R)-1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 91901549
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78864734
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835939
(1R,2R,3R,4S)-2-N,3-N-bis(1-phenylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 101191099
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide (CID 139058748) is (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccccc1.C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccccc1.
What is the InChIKey of (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The InChIKey is RQXXGIVACMURTA-WTDCLKBOSA-N. The full InChI is InChI=1S/2C12H13Cl2NO/c2*1-8(9-5-3-2-4-6-9)15-11(16)10-7-12(10,13)14/h2*2-6,8,10H,7H2,1H3,(H,15,16)/t2*8-,10+/m11/s1.
What are the key properties of (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide has a molecular weight of 516.30 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 139058748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).