1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea

C14H19ClN2O2 — CID 11208334

IUPAC1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
SMILESCCNC(=O)NC1CC(C)(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O2/c1-4-16-13(18)17-11-8-14(2,3)19-12-6-5-9(15)7-10(11)12/h5-7,11H,4,8H2,1-3H3,(H2,16,17,18)
InChIKeyMYGMVHZKQFXNDC-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.26
Rot. Bonds2

About 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea

1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea (PubChem CID 11208334) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
PubChem CID11208334
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
SMILESCCNC(=O)NC1CC(C)(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O2/c1-4-16-13(18)17-11-8-14(2,3)19-12-6-5-9(15)7-10(11)12/h5-7,11H,4,8H2,1-3H3,(H2,16,17,18)
InChIKeyMYGMVHZKQFXNDC-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
ethyl N-[4-[(4-chlorophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate
CID 162644459
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
CID 132652579
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
CID 94052781
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133201576
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321
1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 132654329
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
2-(4-chlorophenyl)sulfanyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 132662167
1-[(4R)-7-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]urea
CID 72709178

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea?
The IUPAC name of 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea (CID 11208334) is 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea.
What is the SMILES notation for 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea?
The canonical SMILES for 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea is CCNC(=O)NC1CC(C)(C)Oc2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea?
The InChIKey is MYGMVHZKQFXNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-16-13(18)17-11-8-14(2,3)19-12-6-5-9(15)7-10(11)12/h5-7,11H,4,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea?
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea has a molecular weight of 282.77 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea is sourced from PubChem (CID 11208334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).