1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea

C15H18ClN3O2 — CID 98293387

IUPAC1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea
SMILESO=C(NNC(=O)C1[C@H]2CCCC[C@H]12)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c16-9-4-3-5-10(8-9)17-15(21)19-18-14(20)13-11-6-1-2-7-12(11)13/h3-5,8,11-13H,1-2,6-7H2,(H,18,20)(H2,17,19,21)/t11-,12-/m0/s1
InChIKeyMWCZHKHFVINOGG-RYUDHWBXSA-N
MW307.78 g/mol
LogP2.93
Rot. Bonds2

About 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea

1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea (PubChem CID 98293387) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea
PubChem CID98293387
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea
SMILESO=C(NNC(=O)C1[C@H]2CCCC[C@H]12)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c16-9-4-3-5-10(8-9)17-15(21)19-18-14(20)13-11-6-1-2-7-12(11)13/h3-5,8,11-13H,1-2,6-7H2,(H,18,20)(H2,17,19,21)/t11-,12-/m0/s1
InChIKeyMWCZHKHFVINOGG-RYUDHWBXSA-N
XLogP2.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 4744720
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
(1S,2R,3S,4R,5R,6S)-5,6-dibromo-3-[(3-chlorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11881075
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
(1R,6R)-N'-(2-chlorobenzoyl)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 795714

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea (CID 98293387) is 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea is O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea?
The InChIKey is MWCZHKHFVINOGG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-9-4-3-5-10(8-9)17-15(21)19-18-14(20)13-11-6-1-2-7-12(11)13/h3-5,8,11-13H,1-2,6-7H2,(H,18,20)(H2,17,19,21)/t11-,12-/m0/s1.
What are the key properties of 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea?
1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea has a molecular weight of 307.78 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 98293387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).