2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate

C18H19BrN2O4 — CID 6733831

IUPAC2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate
SMILESCCOc1cccc(C(=O)NNC(=O)OCCc2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O4/c1-2-24-15-8-5-7-14(12-15)17(22)20-21-18(23)25-11-10-13-6-3-4-9-16(13)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyPNJCZYHOUZMPJS-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.46
Rot. Bonds6

About 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate

2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate (PubChem CID 6733831) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate.

Molecular Properties

Compound Name2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate
PubChem CID6733831
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate
SMILESCCOc1cccc(C(=O)NNC(=O)OCCc2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O4/c1-2-24-15-8-5-7-14(12-15)17(22)20-21-18(23)25-11-10-13-6-3-4-9-16(13)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyPNJCZYHOUZMPJS-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
3-[(2-bromophenyl)methoxy]-N-propylbenzamide
CID 13176426
2-(2-methylphenyl)ethyl N-[(3-hydroxybenzoyl)amino]carbamate
CID 6736632
N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-ethoxybenzamide
CID 4957845
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-ethoxy-N'-phenylsulfanylbenzohydrazide
CID 155393059
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate?
The IUPAC name of 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate (CID 6733831) is 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate.
What is the SMILES notation for 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate?
The canonical SMILES for 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate is CCOc1cccc(C(=O)NNC(=O)OCCc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate?
The InChIKey is PNJCZYHOUZMPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-2-24-15-8-5-7-14(12-15)17(22)20-21-18(23)25-11-10-13-6-3-4-9-16(13)19/h3-9,12H,2,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate?
2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate has a molecular weight of 407.26 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)ethyl N-[(3-ethoxybenzoyl)amino]carbamate is sourced from PubChem (CID 6733831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).