N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H23BrN2O2 — CID 24681735

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCC(=O)Nc2ccccc2Br)C1(C)C
InChIInChI=1S/C18H23BrN2O2/c1-11(2)9-12-16(18(12,3)4)17(23)20-10-15(22)21-14-8-6-5-7-13(14)19/h5-9,12,16H,10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyKQOJADWSSLTMMD-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 24681735) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID24681735
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCC(=O)Nc2ccccc2Br)C1(C)C
InChIInChI=1S/C18H23BrN2O2/c1-11(2)9-12-16(18(12,3)4)17(23)20-10-15(22)21-14-8-6-5-7-13(14)19/h5-9,12,16H,10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyKQOJADWSSLTMMD-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47148517
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 134023213
(2S,3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-methyloxolane-3-carboxamide
CID 97332645
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 94657626
N-[2-(2-bromoanilino)-2-oxoethyl]hexa-2,4-dienamide
CID 47101356
3-[(2-bromophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834804
5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9089633
cis-(1R,3R)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 30795999
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629287
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]butanamide
CID 115572702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 24681735) is N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCC(=O)Nc2ccccc2Br)C1(C)C.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is KQOJADWSSLTMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-11(2)9-12-16(18(12,3)4)17(23)20-10-15(22)21-14-8-6-5-7-13(14)19/h5-9,12,16H,10H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 24681735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).