2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate

C13H17ClN2O4 — CID 108571269

IUPAC2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1cccc(C(=O)NCCNC(=O)OCCCl)c1
InChIInChI=1S/C13H17ClN2O4/c1-19-11-4-2-3-10(9-11)12(17)15-6-7-16-13(18)20-8-5-14/h2-4,9H,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyZTIZGIKNPGUTJA-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.39
Rot. Bonds7

About 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate

2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate (PubChem CID 108571269) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate
PubChem CID108571269
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1cccc(C(=O)NCCNC(=O)OCCCl)c1
InChIInChI=1S/C13H17ClN2O4/c1-19-11-4-2-3-10(9-11)12(17)15-6-7-16-13(18)20-8-5-14/h2-4,9H,5-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyZTIZGIKNPGUTJA-UHFFFAOYSA-N
XLogP1.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate (CID 108571269) is 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate is COc1cccc(C(=O)NCCNC(=O)OCCCl)c1.
What is the InChIKey of 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate?
The InChIKey is ZTIZGIKNPGUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-19-11-4-2-3-10(9-11)12(17)15-6-7-16-13(18)20-8-5-14/h2-4,9H,5-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate?
2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate has a molecular weight of 300.74 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108571269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).