N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide

C13H15BrN2O2 — CID 60912130

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CC1
InChIInChI=1S/C13H15BrN2O2/c14-11-5-1-9(2-6-11)7-16(8-12(15)17)13(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H2,15,17)
InChIKeyHNKICJMWASHKER-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.67
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide (PubChem CID 60912130) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
PubChem CID60912130
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CC1
InChIInChI=1S/C13H15BrN2O2/c14-11-5-1-9(2-6-11)7-16(8-12(15)17)13(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H2,15,17)
InChIKeyHNKICJMWASHKER-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 60962932
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
2-[(4-bromophenyl)methyl-(2-methoxyacetyl)amino]acetamide
CID 47374439
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
CID 71892511
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(ethylamino)propanamide
CID 62835708

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide (CID 60912130) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide is NC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide?
The InChIKey is HNKICJMWASHKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-11-5-1-9(2-6-11)7-16(8-12(15)17)13(18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H2,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 60912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).