(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate

C11H10ClNO3 — CID 59518611

IUPAC(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO3/c1-7(2)10(14)13-11(15)16-9-5-3-8(12)4-6-9/h3-6H,1H2,2H3,(H,13,14,15)
InChIKeyHHQYKXTXKKFLGJ-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.53
Rot. Bonds2

About (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate

(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate (PubChem CID 59518611) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate
PubChem CID59518611
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO3/c1-7(2)10(14)13-11(15)16-9-5-3-8(12)4-6-9/h3-6H,1H2,2H3,(H,13,14,15)
InChIKeyHHQYKXTXKKFLGJ-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
CID 139520073
(4-chlorophenyl) acetate
CID 13410
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
(4-chlorophenyl) N-(3-bromopropanoyl)carbamate
CID 2272980
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
methyl 2-[(4-chlorophenoxy)carbonylamino]-3-oxobutanoate
CID 139842672
N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
CID 166291370
3,5-bis[(4-chlorophenoxy)carbonylamino]benzoic acid
CID 67542680
bis[4-[1-(4-chlorophenyl)ethenyl]phenyl] carbonate
CID 141266892
(4-chlorophenyl) 2-methoxyacetate
CID 849221
[4-[1,2-dibromo-2-(4-chlorophenyl)ethyl]phenyl] acetate
CID 10622623
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate?
The IUPAC name of (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate (CID 59518611) is (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate.
What is the SMILES notation for (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate?
The canonical SMILES for (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate is C=C(C)C(=O)NC(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate?
The InChIKey is HHQYKXTXKKFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-7(2)10(14)13-11(15)16-9-5-3-8(12)4-6-9/h3-6H,1H2,2H3,(H,13,14,15).
What are the key properties of (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate?
(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate has a molecular weight of 239.66 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate is sourced from PubChem (CID 59518611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).