N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide

C19H21BrN2O4 — CID 108935130

IUPACN-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H21BrN2O4/c1-25-16-8-5-14(12-17(16)26-2)19(24)22-10-9-21-18(23)11-13-3-6-15(20)7-4-13/h3-8,12H,9-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKFMWFQYWOFXLTP-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.56
Rot. Bonds8

About N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide

N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide (PubChem CID 108935130) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
PubChem CID108935130
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC NameN-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Cc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C19H21BrN2O4/c1-25-16-8-5-14(12-17(16)26-2)19(24)22-10-9-21-18(23)11-13-3-6-15(20)7-4-13/h3-8,12H,9-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKFMWFQYWOFXLTP-UHFFFAOYSA-N
XLogP2.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.56
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-[2-[[2-(3-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935128
N-[2-[(2-cyanoacetyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 108537248
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide (CID 108935130) is N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCNC(=O)Cc2ccc(Br)cc2)cc1OC.
What is the InChIKey of N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is KFMWFQYWOFXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-25-16-8-5-14(12-17(16)26-2)19(24)22-10-9-21-18(23)11-13-3-6-15(20)7-4-13/h3-8,12H,9-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide?
N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 421.29 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).