(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate

C10H11Cl2NO3 — CID 116819713

IUPAC(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c11-8-3-2-7(6-9(8)12)16-10(15)13-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyGNKIOSGVRWMNAV-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.46
Rot. Bonds4

About (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate

(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate (PubChem CID 116819713) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate
PubChem CID116819713
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c11-8-3-2-7(6-9(8)12)16-10(15)13-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyGNKIOSGVRWMNAV-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl) N-(3-hydroxypropyl)carbamate
CID 116819687
(3,4-dichlorophenyl) N-(cyanomethyl)carbamate
CID 116819787
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
(4-chloro-3-methylphenyl) N-(2-cyanoethyl)carbamate
CID 116819895
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
CID 101097909
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] N-butylcarbamate
CID 23635766
(3,4-dichlorophenyl) N-(2,3-dimethylphenyl)carbamate
CID 4560735
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
(3,4-dichlorophenyl) N-(2,3-dichlorophenyl)carbamate
CID 4093750

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate?
The IUPAC name of (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate (CID 116819713) is (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate?
The canonical SMILES for (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate is O=C(NCCCO)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate?
The InChIKey is GNKIOSGVRWMNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c11-8-3-2-7(6-9(8)12)16-10(15)13-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,13,15).
What are the key properties of (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate?
(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate has a molecular weight of 264.11 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 116819713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).