(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate

C16H16ClNO3 — CID 70632052

IUPAC(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate
SMILESCC(OC(=O)Oc1cccc(Cl)c1)N(C)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-12(18(2)14-8-4-3-5-9-14)20-16(19)21-15-10-6-7-13(17)11-15/h3-12H,1-2H3
InChIKeyWLYPQGOQQDRPQT-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.34
Rot. Bonds4

About (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate

(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate (PubChem CID 70632052) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate.

Molecular Properties

Compound Name(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate
PubChem CID70632052
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate
SMILESCC(OC(=O)Oc1cccc(Cl)c1)N(C)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-12(18(2)14-8-4-3-5-9-14)20-16(19)21-15-10-6-7-13(17)11-15/h3-12H,1-2H3
InChIKeyWLYPQGOQQDRPQT-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
CID 70631943
1-(N-methylanilino)ethyl (4-methylphenyl) carbonate
CID 70631980
1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate
CID 21419953
(3-chlorophenyl) 2-bromopropanoate
CID 87059196
2-(3-chlorophenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 43003068
(E,4R)-4-(3-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 1489413
N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 62228733
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate
CID 156703410
(3-chlorophenyl) propyl carbonate
CID 91713194
2-(3-chloro-N-ethylanilino)ethyl (3-chlorophenyl) carbonate
CID 54060935
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate?
The IUPAC name of (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate (CID 70632052) is (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate.
What is the SMILES notation for (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate?
The canonical SMILES for (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate is CC(OC(=O)Oc1cccc(Cl)c1)N(C)c1ccccc1.
What is the InChIKey of (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate?
The InChIKey is WLYPQGOQQDRPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-12(18(2)14-8-4-3-5-9-14)20-16(19)21-15-10-6-7-13(17)11-15/h3-12H,1-2H3.
What are the key properties of (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate?
(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate has a molecular weight of 305.76 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate is sourced from PubChem (CID 70632052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).