(4-chlorophenyl) N-heptyl-N-hydroxycarbamate

C14H20ClNO3 — CID 10731898

IUPAC(4-chlorophenyl) N-heptyl-N-hydroxycarbamate
SMILESCCCCCCCN(O)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-2-3-4-5-6-11-16(18)14(17)19-13-9-7-12(15)8-10-13/h7-10,18H,2-6,11H2,1H3
InChIKeyRFBCLQXEWNLDCN-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.50
Rot. Bonds7

About (4-chlorophenyl) N-heptyl-N-hydroxycarbamate

(4-chlorophenyl) N-heptyl-N-hydroxycarbamate (PubChem CID 10731898) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (4-chlorophenyl) N-heptyl-N-hydroxycarbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-heptyl-N-hydroxycarbamate
PubChem CID10731898
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(4-chlorophenyl) N-heptyl-N-hydroxycarbamate
SMILESCCCCCCCN(O)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-2-3-4-5-6-11-16(18)14(17)19-13-9-7-12(15)8-10-13/h7-10,18H,2-6,11H2,1H3
InChIKeyRFBCLQXEWNLDCN-UHFFFAOYSA-N
XLogP4.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-O-(4-chlorophenyl) 1-O-heptadecyl oxalate
CID 6422740
(4-chlorophenyl) pentanoate
CID 532709
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CID 70021465
(4-chlorophenyl) 2-phosphanyloctanoate
CID 174681070
4-O-(4-chlorophenyl) 1-O-hexyl (E)-but-2-enedioate
CID 91728029
10-O-(4-chlorophenyl) 1-O-pentyl decanedioate
CID 91729238
7-O-(4-chlorophenyl) 1-O-heptyl heptanedioate
CID 91712617
1-O-(4-chlorophenyl) 3-O-hexyl 2,2-dimethylpropanedioate
CID 91694009
4-O-(4-chlorophenyl) 1-O-pentyl (E)-but-2-enedioate
CID 91725256
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
6-O-(4-chlorophenyl) 1-O-pentyl hexanedioate
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4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-heptyl-N-hydroxycarbamate?
The IUPAC name of (4-chlorophenyl) N-heptyl-N-hydroxycarbamate (CID 10731898) is (4-chlorophenyl) N-heptyl-N-hydroxycarbamate.
What is the SMILES notation for (4-chlorophenyl) N-heptyl-N-hydroxycarbamate?
The canonical SMILES for (4-chlorophenyl) N-heptyl-N-hydroxycarbamate is CCCCCCCN(O)C(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-heptyl-N-hydroxycarbamate?
The InChIKey is RFBCLQXEWNLDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-2-3-4-5-6-11-16(18)14(17)19-13-9-7-12(15)8-10-13/h7-10,18H,2-6,11H2,1H3.
What are the key properties of (4-chlorophenyl) N-heptyl-N-hydroxycarbamate?
(4-chlorophenyl) N-heptyl-N-hydroxycarbamate has a molecular weight of 285.77 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-heptyl-N-hydroxycarbamate is sourced from PubChem (CID 10731898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).