N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

C18H20BrN3O2 — CID 54830564

IUPACN-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrN3O2/c1-12(2)18(24)21-14-9-7-13(8-10-14)20-11-17(23)22-16-6-4-3-5-15(16)19/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyPSEGBZXGDLDVAW-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.09
Rot. Bonds6

About N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54830564) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
PubChem CID54830564
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrN3O2/c1-12(2)18(24)21-14-9-7-13(8-10-14)20-11-17(23)22-16-6-4-3-5-15(16)19/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyPSEGBZXGDLDVAW-UHFFFAOYSA-N
XLogP4.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
2-methyl-N-[4-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54830533
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830530
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (CID 54830564) is N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is PSEGBZXGDLDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-12(2)18(24)21-14-9-7-13(8-10-14)20-11-17(23)22-16-6-4-3-5-15(16)19/h3-10,12,20H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 390.28 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54830564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).