(3-chloro-2-propan-2-ylphenyl)carbamic acid

C10H12ClNO2 — CID 22078489

IUPAC(3-chloro-2-propan-2-ylphenyl)carbamic acid
SMILESCC(C)c1c(Cl)cccc1NC(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(2)9-7(11)4-3-5-8(9)12-10(13)14/h3-6,12H,1-2H3,(H,13,14)
InChIKeyJBYUIDZWLAVABB-UHFFFAOYSA-N
MW213.66 g/mol
LogP3.55
Rot. Bonds2

About (3-chloro-2-propan-2-ylphenyl)carbamic acid

(3-chloro-2-propan-2-ylphenyl)carbamic acid (PubChem CID 22078489) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (3-chloro-2-propan-2-ylphenyl)carbamic acid.

Molecular Properties

Compound Name(3-chloro-2-propan-2-ylphenyl)carbamic acid
PubChem CID22078489
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(3-chloro-2-propan-2-ylphenyl)carbamic acid
SMILESCC(C)c1c(Cl)cccc1NC(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(2)9-7(11)4-3-5-8(9)12-10(13)14/h3-6,12H,1-2H3,(H,13,14)
InChIKeyJBYUIDZWLAVABB-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-propan-2-ylphenyl)carbamic acid?
The IUPAC name of (3-chloro-2-propan-2-ylphenyl)carbamic acid (CID 22078489) is (3-chloro-2-propan-2-ylphenyl)carbamic acid.
What is the SMILES notation for (3-chloro-2-propan-2-ylphenyl)carbamic acid?
The canonical SMILES for (3-chloro-2-propan-2-ylphenyl)carbamic acid is CC(C)c1c(Cl)cccc1NC(=O)O.
What is the InChIKey of (3-chloro-2-propan-2-ylphenyl)carbamic acid?
The InChIKey is JBYUIDZWLAVABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6(2)9-7(11)4-3-5-8(9)12-10(13)14/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of (3-chloro-2-propan-2-ylphenyl)carbamic acid?
(3-chloro-2-propan-2-ylphenyl)carbamic acid has a molecular weight of 213.66 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-propan-2-ylphenyl)carbamic acid is sourced from PubChem (CID 22078489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).