(1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide

C20H21Cl2NO — CID 40565914

IUPAC(1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO/c1-19(2,3)23-18(24)17-12-20(17,13-4-8-15(21)9-5-13)14-6-10-16(22)11-7-14/h4-11,17H,12H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyXHUWXJWHOZMXSB-QGZVFWFLSA-N
MW362.30 g/mol
LogP5.21
Rot. Bonds3

About (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide

(1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 40565914) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID40565914
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC Name(1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO/c1-19(2,3)23-18(24)17-12-20(17,13-4-8-15(21)9-5-13)14-6-10-16(22)11-7-14/h4-11,17H,12H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyXHUWXJWHOZMXSB-QGZVFWFLSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135627948
(1S)-N-(2-fluorophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 1238496
N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 3777057
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
2,2-bis[4-(trifluoromethoxy)phenyl]cyclopropane-1-carbohydrazide
CID 163323833
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2832320
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
1-N'-tert-butyl-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976064

Frequently Asked Questions

What is the IUPAC name of (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide (CID 40565914) is (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide is CC(C)(C)NC(=O)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XHUWXJWHOZMXSB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21Cl2NO/c1-19(2,3)23-18(24)17-12-20(17,13-4-8-15(21)9-5-13)14-6-10-16(22)11-7-14/h4-11,17H,12H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide?
(1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 362.30 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-tert-butyl-2,2-bis(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 40565914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).