N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide

C18H19BrN2O4 — CID 108539326

IUPACN-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-15-9-13(10-16(11-15)25-2)18(23)21-8-7-20-17(22)12-3-5-14(19)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBNBWTSFKVIYZGT-UHFFFAOYSA-N
MW407.26 g/mol
LogP2.63
Rot. Bonds7

About N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide

N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide (PubChem CID 108539326) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
PubChem CID108539326
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-15-9-13(10-16(11-15)25-2)18(23)21-8-7-20-17(22)12-3-5-14(19)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBNBWTSFKVIYZGT-UHFFFAOYSA-N
XLogP2.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide
CID 138025994

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide (CID 108539326) is N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is BNBWTSFKVIYZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-24-15-9-13(10-16(11-15)25-2)18(23)21-8-7-20-17(22)12-3-5-14(19)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide?
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 407.26 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108539326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).