N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide

C20H20BrNO — CID 112812586

IUPACN-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide
SMILESO=C(N(Cc1ccccc1)C1CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrNO/c21-17-8-6-16(7-9-17)20(12-13-20)19(23)22(18-10-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyHJILJHBNCNSZPQ-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.67
Rot. Bonds5

About N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide

N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide (PubChem CID 112812586) has the molecular formula C20H20BrNO and a molecular weight of 370.29 g/mol. Its IUPAC name is N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide
PubChem CID112812586
Molecular FormulaC20H20BrNO
Molecular Weight370.29 g/mol
Exact Mass369.07
IUPAC NameN-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide
SMILESO=C(N(Cc1ccccc1)C1CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrNO/c21-17-8-6-16(7-9-17)20(12-13-20)19(23)22(18-10-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyHJILJHBNCNSZPQ-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylcyclopropane-1-carboxamide
CID 43577241
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55521341
N-cyclopropyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 43576656
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655476
1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55521666
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 106599276
N-benzyl-2-bromo-N-cyclopropylbutanamide
CID 62856125
N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160
N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63138591
N-cyclobutyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 102867305

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide (CID 112812586) is N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide is O=C(N(Cc1ccccc1)C1CC1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide?
The InChIKey is HJILJHBNCNSZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO/c21-17-8-6-16(7-9-17)20(12-13-20)19(23)22(18-10-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2.
What are the key properties of N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide?
N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide is sourced from PubChem (CID 112812586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).