benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate

C18H13Cl2N3O2 — CID 22618116

IUPACbenzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2nc(Cl)cc(Cl)n2)cc1)OCc1ccccc1
InChIInChI=1S/C18H13Cl2N3O2/c19-15-10-16(20)23-17(22-15)13-6-8-14(9-7-13)21-18(24)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,24)
InChIKeyDVKVRANIKOTIJR-UHFFFAOYSA-N
MW374.23 g/mol
LogP5.20
Rot. Bonds4

About benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate

benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate (PubChem CID 22618116) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
PubChem CID22618116
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Namebenzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2nc(Cl)cc(Cl)n2)cc1)OCc1ccccc1
InChIInChI=1S/C18H13Cl2N3O2/c19-15-10-16(20)23-17(22-15)13-6-8-14(9-7-13)21-18(24)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,24)
InChIKeyDVKVRANIKOTIJR-UHFFFAOYSA-N
XLogP5.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[4-(phenylmethoxycarbonylamino)phenyl]benzoic acid
CID 53229105
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
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benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219805
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
CID 70701214
benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
CID 53220686
benzyl N-(4-cyanophenyl)carbamate
CID 4935649

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate (CID 22618116) is benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate is O=C(Nc1ccc(-c2nc(Cl)cc(Cl)n2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate?
The InChIKey is DVKVRANIKOTIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-15-10-16(20)23-17(22-15)13-6-8-14(9-7-13)21-18(24)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,24).
What are the key properties of benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate?
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate has a molecular weight of 374.23 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate is sourced from PubChem (CID 22618116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).