N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide

C19H20BrClN2O2 — CID 112805317

IUPACN-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccc(Br)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H20BrClN2O2/c1-25-15-7-4-13(5-8-15)19(12-2-3-12)22-11-18(24)23-17-9-6-14(20)10-16(17)21/h4-10,12,19,22H,2-3,11H2,1H3,(H,23,24)
InChIKeyTZGCULSFDYWEGE-UHFFFAOYSA-N
MW423.74 g/mol
LogP4.79
Rot. Bonds7

About N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide

N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 112805317) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID112805317
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccc(Br)cc2Cl)C2CC2)cc1
InChIInChI=1S/C19H20BrClN2O2/c1-25-15-7-4-13(5-8-15)19(12-2-3-12)22-11-18(24)23-17-9-6-14(20)10-16(17)21/h4-10,12,19,22H,2-3,11H2,1H3,(H,23,24)
InChIKeyTZGCULSFDYWEGE-UHFFFAOYSA-N
XLogP4.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804460
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804532
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 112804442
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 112808084
2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466879
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 112804522
N-(4-bromo-2-methylphenyl)-2-[[(S)-cyclopropyl(phenyl)methyl]carbamoylamino]acetamide
CID 41285988
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722691
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide (CID 112805317) is N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(C(NCC(=O)Nc2ccc(Br)cc2Cl)C2CC2)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is TZGCULSFDYWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c1-25-15-7-4-13(5-8-15)19(12-2-3-12)22-11-18(24)23-17-9-6-14(20)10-16(17)21/h4-10,12,19,22H,2-3,11H2,1H3,(H,23,24).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 423.74 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 112805317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).